data_2jpj_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 2jpj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.739 0.304 . . . . 74.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 70.030000000000001 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 71.340000000000003 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.420000000000002 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.140000000000001 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.420000000000002 112.519 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 75.0 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 74.109999999999999 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 63.32 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.010000000000005 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 75.400000000000006 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.109999999999999 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.209999999999994 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.130000000000003 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.299999999999997 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 73.439999999999998 112.526 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.76 0.315 . . . . 75.230000000000004 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 74.340000000000003 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.349999999999994 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.409999999999997 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.239999999999995 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 72.150000000000006 112.485 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.549999999999997 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 111.186 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 63.140000000000001 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 72.25 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 71.209999999999994 112.442 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.665 0.269 . . . . 64.239999999999995 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 73.019999999999996 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.150000000000006 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.239999999999995 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.109999999999999 112.501 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 74.540000000000006 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 65.439999999999998 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.430000000000007 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 111.143 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 111.121 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 75.519999999999996 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.168 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 75.420000000000002 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.420000000000002 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.040000000000006 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.340000000000003 112.446 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 74.129999999999995 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.219999999999999 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 73.420000000000002 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.310000000000002 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 72.439999999999998 112.459 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 72.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.109999999999999 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.140000000000001 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 111.073 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 52.439999999999998 111.002 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.349999999999994 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 72.540000000000006 111.114 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.409999999999997 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 74.120000000000005 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.020000000000003 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.150000000000006 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.409999999999997 112.383 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.734 0.302 . . . . 74.129999999999995 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.400000000000006 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 72.349999999999994 112.547 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.120000000000005 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.409999999999997 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.140000000000001 111.057 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 74.239999999999995 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.540000000000006 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.097 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 111.119 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.209999999999994 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 74.129999999999995 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.5 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 62.439999999999998 112.519 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.785 0.326 . . . . 74.439999999999998 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.020000000000003 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 73.319999999999993 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 74.510000000000005 112.597 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 72.420000000000002 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.299999999999997 111.146 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 70.400000000000006 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 74.340000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 71.5 110.989 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 71.230000000000004 111.067 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.310000000000002 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.230000000000004 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 54.119999999999997 111.135 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 61.310000000000002 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.299999999999997 112.484 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.834 0.35 . . . . 75.230000000000004 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.329999999999998 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.140000000000001 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.310000000000002 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 74.25 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.239999999999995 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 61.32 112.471 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 111.172 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.450000000000003 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 75.409999999999997 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 111.113 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 73.109999999999999 111.029 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 75.200000000000003 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.340000000000003 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 111.139 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 70.140000000000001 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.329999999999998 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.519999999999996 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 54.32 112.437 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.768 0.318 . . . . 73.25 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.540000000000006 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.230000000000004 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 74.530000000000001 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.140000000000001 112.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 74.310000000000002 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.450000000000003 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.420000000000002 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 65.319999999999993 111.07 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 72.150000000000006 111.089 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.040000000000006 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 111.147 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.510000000000005 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.329999999999998 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 63.229999999999997 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.209999999999994 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.319999999999993 112.465 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.714 0.292 . . . . 73.129999999999995 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.519999999999996 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.019999999999996 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 72.549999999999997 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.120000000000005 112.515 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.129999999999995 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 64.549999999999997 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.140000000000001 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.349999999999994 111.033 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.150000000000006 111.031 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.420000000000002 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.239999999999995 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 111.144 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.310000000000002 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 74.420000000000002 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 54.109999999999999 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.040000000000006 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 73.310000000000002 112.438 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 72.219999999999999 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.099999999999994 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 64.310000000000002 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.340000000000003 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 71.109999999999999 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.340000000000003 112.455 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 73.430000000000007 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.399999999999999 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 72.140000000000001 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.510000000000005 111.109 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.510000000000005 111.157 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 75.230000000000004 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.430000000000007 111.069 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 71.239999999999995 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.319999999999993 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.340000000000003 112.563 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 74.200000000000003 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.120000000000005 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.119999999999997 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.549999999999997 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 75.400000000000006 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 74.209999999999994 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.030000000000001 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.150000000000006 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.064 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.140000000000001 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 73.129999999999995 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.200000000000003 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 75.25 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.340000000000003 112.388 179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.737 0.304 . . . . 75.420000000000002 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.140000000000001 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 61.329999999999998 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 73.540000000000006 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 71.340000000000003 112.524 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.400000000000006 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.310000000000002 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.329999999999998 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 62.210000000000001 111.182 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 72.150000000000006 110.997 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.299999999999997 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 111.151 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.209999999999994 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 75.329999999999998 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 70.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.239999999999995 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 65.420000000000002 112.471 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.803 0.335 . . . . 72.439999999999998 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.010000000000005 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.329999999999998 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.310000000000002 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.099999999999994 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.140000000000001 112.488 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.030000000000001 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.530000000000001 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.439999999999998 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.219999999999999 111.161 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.400000000000006 111.009 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.200000000000003 111.203 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 61.450000000000003 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.349999999999994 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.130000000000003 112.464 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 74.5 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 73.530000000000001 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.019999999999996 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 75.519999999999996 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.010000000000005 112.486 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 64.109999999999999 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 73.230000000000004 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 71.129999999999995 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.430000000000007 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.115 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 75.140000000000001 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 70.019999999999996 111.096 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 73.219999999999999 112.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.400000000000006 110.792 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 72.150000000000006 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.129999999999995 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.140000000000001 112.398 179.798 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.657 0.265 . . . . 75.540000000000006 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.510000000000005 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.449 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.450000000000003 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 54.119999999999997 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 73.349999999999994 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 75.340000000000003 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.530000000000001 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 111.095 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.120000000000005 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 73.010000000000005 111.127 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.229999999999997 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 73.239999999999995 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.209999999999994 112.523 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.68 0.276 . . . . 74.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.420000000000002 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.219999999999999 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 74.420000000000002 112.419 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.130000000000003 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 71.209999999999994 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.099999999999994 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.5 111.023 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.340000000000003 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 74.25 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 73.540000000000006 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.319999999999993 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.310000000000002 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.120000000000005 112.494 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 71.329999999999998 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.340000000000003 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.540000000000006 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 64.349999999999994 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.099999999999994 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.340000000000003 112.422 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 53.109999999999999 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 71.299999999999997 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.049999999999997 111.137 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 74.549999999999997 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 71.430000000000007 111.271 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.430000000000007 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.030000000000001 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.409999999999997 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 75.430000000000007 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.239999999999995 112.499 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.779 0.324 . . . . 74.230000000000004 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.129999999999995 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.310000000000002 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.519999999999996 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 74.150000000000006 112.407 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 75.329999999999998 111.124 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 55.520000000000003 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 75.219999999999999 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.549999999999997 111.146 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 55.109999999999999 111.096 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 73.219999999999999 111.138 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.109999999999999 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.319999999999993 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.519999999999996 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.409999999999997 112.561 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.819 0.342 . . . . 74.430000000000007 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.530000000000001 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.439999999999998 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.120000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 62.149999999999999 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.430000000000007 112.545 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 71.549999999999997 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 72.140000000000001 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.319999999999993 111.131 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.019999999999996 111.115 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.450000000000003 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.010000000000005 111.1 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.310000000000002 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.439999999999998 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.239999999999995 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.020000000000003 112.44 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.826 0.346 . . . . 74.310000000000002 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.519999999999996 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.099999999999994 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 71.239999999999995 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.140000000000001 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.409999999999997 112.554 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.040000000000006 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.129999999999995 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 74.25 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 74.400000000000006 111.178 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.420000000000002 111.138 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.219999999999999 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 111.115 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.350000000000001 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.030000000000001 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.140000000000001 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 72.120000000000005 112.455 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 73.109999999999999 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.32 -18.04 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 74.239999999999995 111.079 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.96 -29.06 11.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.4 . . . . 74.200000000000003 110.889 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 70.030000000000001 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 71.340000000000003 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.420000000000002 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.140000000000001 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.420000000000002 112.519 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 75.0 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 74.109999999999999 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 63.32 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.010000000000005 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 75.400000000000006 111.084 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.109999999999999 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.209999999999994 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.130000000000003 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.299999999999997 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.81 -28.05 2.66 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 73.439999999999998 112.526 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.26 86.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 74.120000000000005 110.822 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.36 39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 75.530000000000001 110.82 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -93.73 -46.97 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 70.409999999999997 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.95 -33.25 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 m -65.39 -26.9 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 63.340000000000003 111.066 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.39 -37.06 82.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.788 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -77.24 -29.99 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.120000000000005 110.932 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.32 69.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.2 35.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 74.439999999999998 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -69.37 -16.87 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.019999999999996 110.835 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.36 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 111.07 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.67 9.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -26.49 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -28.11 67.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 65.439999999999998 110.797 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -127.36 40.7 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.230000000000004 110.893 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -103.13 30.23 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 73.409999999999997 110.907 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 65.230000000000004 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.432 -0.267 . . . . 74.319999999999993 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 p -60.43 -18.0 48.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.739 0.304 . . . . 74.510000000000005 111.102 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -51.0 -29.01 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 74.340000000000003 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.349999999999994 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.409999999999997 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.239999999999995 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 72.150000000000006 112.485 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.549999999999997 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 111.186 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 63.140000000000001 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 72.25 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.82 -131.83 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 71.209999999999994 112.442 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -158.26 -41.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.400000000000006 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -171.65 31.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 110.921 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -87.9 -49.46 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 55.439999999999998 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -31.85 69.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.310000000000002 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -64.05 -22.89 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 62.539999999999999 111.112 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.65 -40.15 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.854 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.53 -26.04 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 110.872 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.3 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 72.329999999999998 111.122 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.32 35.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 75.099999999999994 110.823 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -69.38 -16.7 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 73.230000000000004 110.882 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -137.33 13.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 111.124 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.34 -25.66 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 110.933 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -62.0 -26.68 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -69.75 -31.24 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -152.96 84.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.120000000000005 110.894 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -105.16 48.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.129999999999995 111.009 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 110.933 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.462 -0.255 . . . . 74.109999999999999 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.33 -18.01 46.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.677 0.275 . . . . 74.420000000000002 111.097 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.98 -29.08 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 64.239999999999995 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 73.019999999999996 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.150000000000006 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.239999999999995 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 74.540000000000006 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.109999999999999 112.501 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 74.540000000000006 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 65.439999999999998 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.430000000000007 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 111.143 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 111.121 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 75.519999999999996 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.168 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 75.420000000000002 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.420000000000002 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.040000000000006 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 -175.39 26.4 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.340000000000003 112.446 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.49 86.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 71.430000000000007 111.017 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.15 92.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.349999999999994 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -35.1 65.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 110.922 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -56.33 -38.24 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.833 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.11 -24.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 111.063 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -73.13 -32.17 64.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.28 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 75.209999999999994 111.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.22 -23.3 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 63.43 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -69.38 -16.81 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.329999999999998 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.4 13.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.44 -25.6 9.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.239999999999995 110.806 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -26.48 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 75.219999999999999 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -85.37 56.24 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 62.25 110.766 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -116.94 48.03 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 71.319999999999993 110.881 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -106.99 -28.86 9.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 74.310000000000002 110.868 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 73.549999999999997 110.775 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 62.310000000000002 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -17.94 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 73.310000000000002 111.057 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.12 -28.99 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.836 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.219999999999999 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 73.420000000000002 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.310000000000002 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 72.439999999999998 112.459 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 72.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.109999999999999 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.140000000000001 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 111.073 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 52.439999999999998 111.002 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.349999999999994 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 72.540000000000006 111.114 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.409999999999997 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 74.120000000000005 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.020000000000003 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.150000000000006 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 108.54 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.409999999999997 112.383 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.42 45.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 65.219999999999999 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.26 34.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 62.399999999999999 110.85 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -8.64 58.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.887 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.67 6.37 31.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 70.450000000000003 110.936 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -151.5 -41.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 74.230000000000004 111.148 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -64.39 -27.38 68.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 62.100000000000001 110.907 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.29 -26.51 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.450000000000003 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.2 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 111.193 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -56.5 -23.08 37.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 52.399999999999999 110.822 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -16.82 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.38 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.119 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.49 -25.62 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 73.409999999999997 110.885 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -58.58 -27.51 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 75.040000000000006 110.934 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -84.07 -32.0 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 110.861 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp 59.81 80.25 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 73.530000000000001 110.915 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.58 -31.09 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 74.109999999999999 110.91 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 73.200000000000003 110.909 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 N-CA-C 112.364 -0.294 . . . . 73.310000000000002 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 p -60.25 -18.01 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 75.310000000000002 111.201 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -50.99 -29.02 11.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 74.129999999999995 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.400000000000006 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 72.349999999999994 112.547 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.120000000000005 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.409999999999997 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.140000000000001 111.057 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 74.239999999999995 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.540000000000006 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.097 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.5 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 111.119 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.209999999999994 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 74.129999999999995 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.5 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.79 162.01 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 62.439999999999998 112.519 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.41 55.47 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 74.329999999999998 110.936 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -172.6 34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 73.420000000000002 110.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -87.47 -40.39 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 71.010000000000005 110.819 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.91 -32.65 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 75.400000000000006 110.75 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.3 -31.77 54.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 65.340000000000003 111.14 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.76 -36.8 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.864 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -78.43 -30.33 47.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.31 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 111.132 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.8 p -56.38 -23.38 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.767 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -69.24 -15.25 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 110.817 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.2 6.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.107 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -117.92 -58.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.838 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 63.39 15.11 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 110.792 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -31.63 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 72.049999999999997 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -28.52 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 64.5 110.96 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 54.63 27.94 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 73.430000000000007 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 62.340000000000003 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.499 -0.24 . . . . 73.219999999999999 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.45 29.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.76 0.314 . . . . 72.409999999999997 111.127 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -71.31 -26.28 62.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.020000000000003 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 73.319999999999993 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 74.510000000000005 112.597 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 72.420000000000002 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.299999999999997 111.146 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 70.400000000000006 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 74.340000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 71.5 110.989 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 71.230000000000004 111.067 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.310000000000002 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.230000000000004 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 54.119999999999997 111.135 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 61.310000000000002 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 61.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.299999999999997 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.08 27.3 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 72.219999999999999 110.908 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.38 40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.909 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.87 -46.6 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 71.400000000000006 110.774 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.02 -33.36 74.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 110.845 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.02 -26.92 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.230000000000004 111.146 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -61.86 -37.08 83.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.923 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -29.36 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.329999999999998 110.93 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.42 70.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 71.349999999999994 111.041 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -56.05 -23.51 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.987 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -69.2 -15.15 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 75.120000000000005 110.924 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.34 6.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 72.5 111.136 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.9 -58.89 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 75.420000000000002 110.901 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 63.21 15.16 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.831 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -72.01 -30.86 65.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.98 84.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 64.420000000000002 110.939 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 -27.69 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 110.813 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 110.843 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.413 -0.275 . . . . 63.420000000000002 112.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.42 29.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.725 0.298 . . . . 55.43 111.149 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.24 -26.23 62.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 75.230000000000004 110.935 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.329999999999998 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.140000000000001 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.310000000000002 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 74.25 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.239999999999995 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 61.32 112.471 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 111.172 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.450000000000003 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 75.409999999999997 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 111.113 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 73.109999999999999 111.029 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 75.200000000000003 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.340000000000003 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 111.139 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 70.140000000000001 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.329999999999998 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.519999999999996 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.85 52.13 3.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 54.32 112.437 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -99.73 33.97 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.450000000000003 110.855 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.1 43.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 71.329999999999998 110.794 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -91.92 -37.51 12.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 62.219999999999999 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -79.78 -30.54 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 71.349999999999994 110.936 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.35 -31.75 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 111.193 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.66 -36.89 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 75.530000000000001 110.894 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.39 -32.81 62.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 73.329999999999998 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.28 69.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.129999999999995 111.121 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.29 -23.34 36.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 52.109999999999999 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -16.27 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.010000000000005 110.915 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.08 12.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.129999999999995 111.128 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.55 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 63.450000000000003 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.98 -26.2 64.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 73.5 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -151.75 78.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -162.39 73.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 110.793 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -61.46 -27.81 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 75.019999999999996 110.94 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 74.5 110.732 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 64.409999999999997 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.47 30.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.753 0.311 . . . . 64.299999999999997 111.146 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.25 -25.72 62.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.462 . . . . 73.25 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.540000000000006 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.230000000000004 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 74.530000000000001 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.140000000000001 112.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 74.310000000000002 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.450000000000003 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.420000000000002 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 65.319999999999993 111.07 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 72.150000000000006 111.089 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.040000000000006 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 111.147 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.510000000000005 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.329999999999998 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 63.229999999999997 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.209999999999994 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.319999999999993 112.465 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -102.48 -30.93 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 75.209999999999994 110.864 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.01 73.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.16 2.07 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 61.43 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.67 5.68 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.822 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -154.12 -41.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 111.086 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.31 -31.42 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.906 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -76.16 -28.95 57.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 72.439999999999998 110.979 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 111.046 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.39 -23.18 36.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 73.140000000000001 110.827 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -69.35 -16.8 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.140000000000001 110.957 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.36 13.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 111.114 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.48 -25.57 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 74.010000000000005 110.835 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -60.5 -27.69 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.925 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -26.87 62.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 73.120000000000005 110.887 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 61.27 84.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 71.450000000000003 110.869 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -130.37 70.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.229999999999997 110.848 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.519999999999996 110.824 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.536 -0.226 . . . . 74.129999999999995 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.26 -18.04 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 72.049999999999997 111.141 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -51.01 -29.05 11.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 73.129999999999995 110.899 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.519999999999996 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.019999999999996 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 72.549999999999997 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.120000000000005 112.515 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.129999999999995 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 64.549999999999997 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.140000000000001 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.349999999999994 111.033 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.150000000000006 111.031 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.420000000000002 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.239999999999995 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 111.144 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.310000000000002 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 74.420000000000002 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 54.109999999999999 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.040000000000006 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.54 73.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 73.310000000000002 112.438 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -156.86 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 71.120000000000005 110.902 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.2 58.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.963 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -94.03 -33.04 13.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.62 -33.71 74.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 110.94 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.13 -31.77 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.409999999999997 111.094 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -68.11 -39.45 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 64.409999999999997 110.911 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -78.55 -26.61 45.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 111.098 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.2 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.89 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -16.92 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 75.049999999999997 110.878 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.28 13.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.129999999999995 111.146 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.38 -25.65 9.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.886 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -28.12 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.821 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 56.13 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.988 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -32.6 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -30.76 8.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 110.881 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 72.010000000000005 110.817 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.464 -0.255 . . . . 54.409999999999997 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.46 30.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 74.129999999999995 111.148 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -26.28 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.906 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.099999999999994 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 64.310000000000002 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.340000000000003 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 71.109999999999999 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.340000000000003 112.455 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 73.430000000000007 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.399999999999999 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 72.140000000000001 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.510000000000005 111.109 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.510000000000005 111.157 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 75.230000000000004 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.430000000000007 111.069 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 71.239999999999995 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.319999999999993 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.35 -94.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.340000000000003 112.563 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.17 59.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 60.130000000000003 110.824 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.49 78.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 t -94.0 -30.66 14.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 73.109999999999999 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -56.32 -38.02 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.895 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 m -66.36 -27.24 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 74.319999999999993 111.107 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -71.78 -39.57 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 71.540000000000006 110.852 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -78.55 -26.08 45.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 62.310000000000002 110.936 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.31 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.519999999999996 111.123 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.29 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -69.35 -16.83 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 74.140000000000001 110.842 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.28 14.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 111.142 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.43 -25.62 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.945 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -58.6 -26.25 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.209999999999994 110.83 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.61 73.6 1.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 71.299999999999997 110.959 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -171.86 35.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 71.420000000000002 110.906 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -69.81 -29.18 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.854 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 73.340000000000003 110.886 179.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.391 -0.284 . . . . 74.230000000000004 112.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.43 29.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 75.129999999999995 111.13 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 110.957 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.120000000000005 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.119999999999997 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.549999999999997 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 75.400000000000006 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 74.209999999999994 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.030000000000001 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.150000000000006 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.064 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.140000000000001 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 73.129999999999995 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.200000000000003 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 75.25 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.120000000000005 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.6 50.74 1.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.340000000000003 112.388 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.43 33.44 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 75.310000000000002 110.874 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.62 38.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 75.329999999999998 110.948 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -75.3 -49.5 19.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.049999999999997 110.856 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.85 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.931 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.04 -22.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 70.319999999999993 111.162 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.62 -40.18 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.796 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -78.59 -25.84 45.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.45 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 111.029 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.0 p -56.28 -23.32 35.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 63.549999999999997 110.87 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -69.2 -15.42 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 110.851 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.11 6.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 62.219999999999999 111.134 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -117.91 -58.88 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.28 15.02 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.010000000000005 110.916 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 56.33 83.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 63.109999999999999 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -99.92 -30.31 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.349999999999994 110.94 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -64.42 -26.17 68.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.842 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.846 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.449 -0.26 . . . . 74.349999999999994 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.51 30.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 64.409999999999997 111.228 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -25.89 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.140000000000001 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 61.329999999999998 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 73.540000000000006 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 71.340000000000003 112.524 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.400000000000006 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.310000000000002 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.329999999999998 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 62.210000000000001 111.182 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 72.150000000000006 110.997 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.299999999999997 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 111.151 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.209999999999994 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 75.329999999999998 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 70.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.239999999999995 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.3 42.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 65.420000000000002 112.471 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.46 92.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 71.519999999999996 110.828 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.02 38.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.019999999999996 110.933 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -73.51 -42.46 61.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 44.340000000000003 110.84 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -33.41 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.848 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.06 -23.42 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.055 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -69.31 -38.79 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 63.130000000000003 110.85 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.14 -25.71 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.239999999999995 110.995 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.52 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 111.191 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.0 p -56.23 -23.44 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.22 -15.28 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 74.329999999999998 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.1 6.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 111.148 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -117.89 -59.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.030000000000001 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 63.07 15.33 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 70.099999999999994 110.944 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -80.05 -74.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.430000000000007 110.879 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.845 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.534 -0.226 . . . . 53.130000000000003 112.534 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.36 29.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 74.319999999999993 111.145 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.25 -25.63 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 72.439999999999998 110.96 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.010000000000005 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.329999999999998 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.310000000000002 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.099999999999994 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.140000000000001 112.488 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.030000000000001 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.530000000000001 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.439999999999998 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.219999999999999 111.161 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.400000000000006 111.009 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 74.200000000000003 111.203 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 61.450000000000003 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.349999999999994 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.05 -101.25 0.48 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.130000000000003 112.464 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -147.52 85.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.918 0.39 . . . . 62.310000000000002 110.876 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 81.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.916 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -93.83 -27.47 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.795 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -30.09 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.822 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 m -77.07 -27.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 111.142 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.43 -47.44 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 71.129999999999995 110.925 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.36 -30.82 60.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 75.439999999999998 110.892 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.36 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 64.340000000000003 111.021 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.18 -23.29 34.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.200000000000003 110.832 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -69.37 -16.81 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 74.420000000000002 110.867 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.34 13.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.35 -25.63 9.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.992 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -59.19 -27.38 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -29.55 46.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 73.409999999999997 110.992 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 52.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.129999999999995 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -53.81 -31.97 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 70.530000000000001 110.916 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 75.120000000000005 110.839 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.396 -0.282 . . . . 73.140000000000001 112.396 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.26 -18.05 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 74.319999999999993 111.131 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -50.97 -29.05 11.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 73.530000000000001 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.019999999999996 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 75.519999999999996 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.010000000000005 112.486 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 64.109999999999999 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 73.230000000000004 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 71.129999999999995 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.430000000000007 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.115 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 75.140000000000001 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 70.019999999999996 111.096 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 73.219999999999999 112.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.400000000000006 110.792 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 72.150000000000006 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.129999999999995 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.27 63.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.140000000000001 112.398 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -141.0 37.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.367 . . . . 73.439999999999998 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.17 79.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 73.329999999999998 110.905 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.52 -34.8 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.120000000000005 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.08 -32.53 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.519999999999996 110.785 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.4 t -85.68 -22.06 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 111.194 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.4 -50.1 74.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.85 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -68.36 -30.99 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.972 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.42 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 111.141 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.25 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.822 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -16.19 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 mp -137.14 12.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.400000000000006 111.072 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.43 -25.55 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.874 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.879 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 pttt 39.29 42.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.862 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -115.2 -28.64 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 50.420000000000002 110.819 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -126.7 61.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 73.420000000000002 110.874 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.519999999999996 110.787 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 75.25 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.46 29.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.75 0.31 . . . . 75.230000000000004 111.243 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.43 -26.14 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.540000000000006 110.825 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.510000000000005 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.449 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.450000000000003 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 54.119999999999997 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 73.349999999999994 111.188 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 75.340000000000003 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.530000000000001 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 111.095 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.120000000000005 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 73.010000000000005 111.127 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.229999999999997 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 73.239999999999995 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 40.59 2.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.209999999999994 112.523 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.8 56.51 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 71.540000000000006 110.903 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -172.55 38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.39 -49.52 11.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 110.809 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.22 -33.89 76.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 75.049999999999997 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.14 -23.69 33.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -66.48 -37.95 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.049999999999997 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -75.2 -28.75 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.26 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 71.5 111.044 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.22 35.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 72.310000000000002 110.876 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -69.39 -16.83 63.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 74.409999999999997 110.96 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.35 13.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 71.430000000000007 111.125 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.38 -25.74 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.399999999999999 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -60.48 -26.89 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.966 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.7 87.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 75.510000000000005 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.15 -34.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.439999999999998 110.96 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -32.53 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 75.129999999999995 110.812 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 73.109999999999999 110.844 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.468 -0.253 . . . . 74.319999999999993 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.43 29.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 75.430000000000007 111.202 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.35 -25.65 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.853 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.420000000000002 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.219999999999999 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 74.420000000000002 112.419 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.130000000000003 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 71.209999999999994 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.099999999999994 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.5 111.023 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.340000000000003 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 74.25 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 73.540000000000006 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.319999999999993 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.420000000000002 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.310000000000002 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.92 32.64 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.120000000000005 112.494 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -101.86 27.65 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 74.349999999999994 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 89.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 72.129999999999995 110.925 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -93.99 -33.85 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.120000000000005 110.858 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.78 -35.57 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 110.852 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -31.78 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 111.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.7 -36.65 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.896 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.6 -32.78 71.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.36 69.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 111.14 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.32 -23.2 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 65.319999999999993 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -69.37 -16.74 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.918 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.37 14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 111.17 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.46 -25.81 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.349999999999994 110.9 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -59.06 -26.82 64.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.0 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 54.4 72.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.219999999999999 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.82 -26.62 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.140000000000001 110.998 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -57.8 -29.99 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.971 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 72.239999999999995 110.784 179.877 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.194 0 N-CA-C 112.478 -0.249 . . . . 75.340000000000003 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.38 29.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 72.239999999999995 111.224 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.33 -26.31 62.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 71.329999999999998 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.340000000000003 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.540000000000006 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 64.349999999999994 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.099999999999994 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.340000000000003 112.422 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 53.109999999999999 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 71.299999999999997 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.049999999999997 111.137 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 74.549999999999997 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 71.430000000000007 111.271 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.430000000000007 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.030000000000001 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.409999999999997 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 75.430000000000007 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.43 88.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.239999999999995 112.499 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -140.02 35.35 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 70.439999999999998 110.832 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.83 67.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.913 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -77.37 -8.64 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -86.72 6.46 31.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 72.120000000000005 110.873 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -151.51 -41.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 111.13 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -63.36 -27.33 69.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.86 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.2 -26.33 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.530000000000001 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 51.310000000000002 111.022 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -56.29 -23.32 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 74.120000000000005 110.883 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -69.19 -15.31 63.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.891 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.13 6.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.549999999999997 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -117.72 -58.84 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 110.904 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.31 15.02 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 72.439999999999998 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -29.81 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.400000000000006 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 53.42 61.82 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.91 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 55.59 61.64 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 74.310000000000002 110.868 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 110.841 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 112.361 -0.296 . . . . 72.030000000000001 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.27 -18.16 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 74.430000000000007 111.124 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.84 -28.99 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.129999999999995 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.310000000000002 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.519999999999996 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 74.150000000000006 112.407 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 75.329999999999998 111.124 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 55.520000000000003 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 75.219999999999999 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.549999999999997 111.146 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 55.109999999999999 111.096 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 73.219999999999999 111.138 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.109999999999999 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.319999999999993 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.519999999999996 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.1 158.54 19.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.409999999999997 112.561 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.16 -33.54 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 75.430000000000007 110.835 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mp 40.35 69.8 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 73.540000000000006 110.866 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -93.27 -50.17 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 110.788 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -33.89 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 75.209999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.18 -23.64 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 111.13 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -66.49 -38.17 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 70.510000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -78.35 -32.61 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 75.25 110.943 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.3 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 55.420000000000002 111.152 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.26 -23.15 34.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 110.879 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.42 -16.95 63.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 75.239999999999995 110.821 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.28 14.06 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 72.239999999999995 111.092 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.32 -25.62 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.439999999999998 110.962 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -26.38 68.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 74.340000000000003 110.858 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.22 54.51 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 73.549999999999997 110.813 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.61 30.3 6.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 74.329999999999998 110.912 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -91.12 -26.39 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.530000000000001 110.858 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.893 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.451 -0.26 . . . . 63.509999999999998 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 p -60.4 -18.03 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 72.329999999999998 111.027 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -50.92 -29.1 11.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 110.965 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.530000000000001 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.439999999999998 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.120000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 62.149999999999999 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.430000000000007 112.545 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 71.549999999999997 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 72.140000000000001 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.319999999999993 111.131 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.019999999999996 111.115 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.450000000000003 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.010000000000005 111.1 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.310000000000002 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.439999999999998 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.239999999999995 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.03 -166.44 36.7 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.020000000000003 112.44 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.18 27.16 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 74.230000000000004 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mp 40.47 72.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.0 110.814 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.08 -50.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.836 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.98 -33.52 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 72.239999999999995 110.858 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.26 -23.74 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 111.091 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 63.109999999999999 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -30.3 47.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.37 69.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.37 -23.26 36.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 65.049999999999997 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -69.3 -16.32 63.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 70.209999999999994 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.09 12.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.153 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.42 -25.56 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.959 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -61.91 -26.26 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.040000000000006 110.78 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -151.95 88.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 73.510000000000005 110.865 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.39 35.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 64.319999999999993 110.861 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt 54.42 83.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 74.409999999999997 110.888 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 63.340000000000003 110.853 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.457 -0.257 . . . . 75.540000000000006 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.36 -17.95 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.099999999999994 111.213 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.97 -29.05 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.92 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.519999999999996 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.099999999999994 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 71.239999999999995 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.140000000000001 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.409999999999997 112.554 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.040000000000006 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.129999999999995 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 74.25 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 74.400000000000006 111.178 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.420000000000002 111.138 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.219999999999999 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 111.115 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.350000000000001 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.030000000000001 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.140000000000001 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.67 44.4 97.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 72.120000000000005 112.455 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -141.93 34.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 74.120000000000005 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp 40.37 66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.863 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -90.73 -51.11 5.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.530000000000001 110.867 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.05 -33.7 72.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 110.951 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.18 -23.83 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 75.299999999999997 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -66.36 -38.11 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 71.230000000000004 110.89 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.95 -31.0 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.987 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 72.439999999999998 111.152 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.13 36.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 73.549999999999997 110.845 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.39 -16.81 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.896 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -137.37 14.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.030000000000001 111.156 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.53 -25.73 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -88.82 9.15 25.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 110.956 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 62.15 73.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.329999999999998 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -70.34 -27.87 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.944 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -131.76 58.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 73.400000000000006 110.88 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 75.329999999999998 110.869 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.739 0.304 . . . . 72.44 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 72.24 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.14 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.519 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 64.23 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 73.3 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 62.23 111.095 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 54.22 111.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.01 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.43 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.11 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.21 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.13 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 53.35 112.526 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.76 0.315 . . . . 73.12 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.42 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.41 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.24 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 33.15 112.485 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 73.42 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.24 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 65.33 111.11 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 64.32 111.149 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 70.43 111.186 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 41.14 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 62.23 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 62.05 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 43.14 112.442 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.665 0.269 . . . . 44.31 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 71.12 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.15 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.24 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.34 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.11 112.501 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 64.34 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 52.2 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.43 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 70.3 111.143 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.121 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 61.24 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.12 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.34 112.446 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 72.04 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.22 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 64.54 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 71.05 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 61.42 112.459 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 61.32 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.11 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.14 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.073 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 51.52 111.002 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.35 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 61.23 111.114 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.41 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 72.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.02 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.383 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.734 0.302 . . . . 74.13 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 61.14 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.4 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 62.31 112.547 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.12 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' HA2' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.14 111.057 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 73.2 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.54 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.097 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 14' ' ' ALA . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.21 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 70.32 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 52.42 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 24.24 112.519 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.785 0.326 . . . . 74.44 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 72.02 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 71.4 112.597 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 70.4 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA2' ' A' ' 7' ' ' GLY . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.3 111.146 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 64.5 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.33 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 62.11 110.989 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 61.44 111.067 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.23 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 52.25 111.135 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 55.11 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 65.12 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 65.41 112.484 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.834 0.35 . . . . 75.23 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.33 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.14 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 54.24 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.24 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 35.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 71.43 111.172 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.45 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 73.32 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.113 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 71.15 111.029 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 63.23 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.34 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.139 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 63.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.33 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 51.44 112.437 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.768 0.318 . . . . 65.34 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.23 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.23 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 61.15 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.14 112.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.41 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.45 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.42 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 54.14 111.07 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 63.01 111.089 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.04 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.31 111.147 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.3 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.33 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 51.41 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.32 112.465 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.714 0.292 . . . . 73.13 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.53 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.02 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 52.23 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.515 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.13 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 14.31 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.14 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 64.31 111.033 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.15 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.42 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.24 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.31 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 73.41 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 53.15 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.51 112.438 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 72.21 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 44.2 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 60.42 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.34 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 53.34 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.455 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 70.04 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.4 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 64.32 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' GLY . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.51 111.109 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.157 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.43 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 44.15 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.32 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 55.51 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.34 112.563 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 74.2 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.12 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.12 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.55 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 74.12 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 14' ' ' ALA . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 63.12 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.03 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.15 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.064 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 63.5 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.2 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 61.45 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.22 112.388 179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.737 0.304 . . . . 75.42 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.14 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 42.4 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 65.21 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 52.1 112.524 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.4 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.31 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.33 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' GLY . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.01 111.182 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 55.53 110.997 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.42 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 70.22 111.151 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.21 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 74.13 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 55.15 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 61.41 112.471 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.803 0.335 . . . . 71.24 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.01 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.25 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.31 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.1 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 44.05 112.488 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.03 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.53 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.1 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.161 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.4 111.009 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 54.32 111.203 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 51.35 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.35 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.13 112.464 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 72.32 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 64.11 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 64.22 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.01 112.486 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 61.31 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 21.24 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 63.21 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.43 111.122 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.115 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 73.33 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 35.5 111.096 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.33 112.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.4 110.792 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 63.23 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.13 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.14 112.398 179.798 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.657 0.265 . . . . 74.24 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 72.24 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.415 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 62.21 112.449 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.45 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 45.01 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' HA2' ' A' ' 7' ' ' GLY . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 72.4 111.188 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.53 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.53 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 44.14 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.31 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.31 111.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 44.35 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.21 112.523 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.68 0.276 . . . . 65.2 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.42 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.22 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 62.41 112.419 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.13 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 7' ' ' GLY . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 53.03 111.128 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 65.1 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.1 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.3 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.21 111.023 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 62.12 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 64.14 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.32 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.42 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.494 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 64.42 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 24.41 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.1 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.34 112.422 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 73.54 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 34.13 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 65.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.53 111.085 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.05 111.137 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 70.14 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 53.35 111.271 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.43 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.03 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 63.44 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.499 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.779 0.324 . . . . 74.23 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.13 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.31 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.52 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.407 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 7' ' ' GLY . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 70.33 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 32.31 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 73.34 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.55 111.146 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 34.43 111.096 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 61.44 111.138 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.11 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.24 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.52 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.41 112.561 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.819 0.342 . . . . 73.43 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.44 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.04 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 25.02 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.22 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.43 112.545 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 70.41 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 71.41 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.131 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.115 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.01 111.1 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.31 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.44 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.02 112.44 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.826 0.346 . . . . 74.31 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.52 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.1 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 53.52 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.14 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.41 112.554 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.04 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.13 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.54 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 71.15 111.178 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.42 111.138 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.22 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.115 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.35 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.03 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 54.14 112.455 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 73.11 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.32 -18.04 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 74.24 111.079 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.96 -29.06 11.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.4 . . . . 72.44 110.889 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 72.24 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.14 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.519 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 64.23 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 73.3 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 62.23 111.095 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 54.22 111.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.01 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.43 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.11 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.21 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.13 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.81 -28.05 2.66 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 53.35 112.526 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.26 86.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 74.12 110.822 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.36 39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.15 110.82 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -93.73 -46.97 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 70.41 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.95 -33.25 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 m -65.39 -26.9 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 61.31 111.066 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.39 -37.06 82.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.788 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -77.24 -29.99 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.12 110.932 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.32 69.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.2 35.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -69.37 -16.87 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.835 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.36 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 75.32 111.07 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.67 9.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -26.49 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -28.11 67.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.797 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -127.36 40.7 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.23 110.893 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -103.13 30.23 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 73.41 110.907 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 65.23 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.432 -0.267 . . . . 74.32 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 p -60.43 -18.0 48.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.739 0.304 . . . . 74.51 111.102 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -51.0 -29.01 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.42 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.41 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.24 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 33.15 112.485 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 73.42 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.24 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 65.33 111.11 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 64.32 111.149 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 70.43 111.186 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 41.14 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 62.23 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 62.05 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.82 -131.83 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 43.14 112.442 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -158.26 -41.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.31 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -171.65 31.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -87.9 -49.46 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 43.21 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -31.85 69.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -64.05 -22.89 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 51.53 111.112 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.65 -40.15 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.854 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.53 -26.04 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.872 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.3 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 72.33 111.122 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.32 35.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 75.1 110.823 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -69.38 -16.7 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 54.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.9 mp -137.33 13.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 70.51 111.124 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.34 -25.66 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -62.0 -26.68 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -69.75 -31.24 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -152.96 84.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.894 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -105.16 48.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.009 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.933 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.462 -0.255 . . . . 64.03 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.33 -18.01 46.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.677 0.275 . . . . 71.11 111.097 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.98 -29.08 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 44.31 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 71.12 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.15 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.24 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.34 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.11 112.501 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 64.34 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 52.2 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.43 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 70.3 111.143 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.121 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 61.24 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.12 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 -175.39 26.4 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.34 112.446 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.49 86.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 71.43 111.017 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -169.15 92.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.929 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -35.1 65.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.922 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -56.33 -38.24 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.833 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.546 ' CG2' HD22 ' A' ' 24' ' ' LEU . 93.9 t -65.11 -24.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.43 111.063 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -73.13 -32.17 64.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.28 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.22 -23.3 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 63.43 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -69.38 -16.81 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 53.45 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.4 13.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 72.23 111.11 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.44 -25.6 9.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.806 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -26.48 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -85.37 56.24 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 61.24 110.766 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -116.94 48.03 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 63.12 110.881 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -106.99 -28.86 9.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.868 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 70.15 110.775 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 62.31 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -17.94 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 73.31 111.057 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.12 -28.99 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.836 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.22 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 64.54 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 71.05 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 61.42 112.459 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 61.32 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.11 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.14 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.073 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 51.52 111.002 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.35 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 61.23 111.114 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.41 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 72.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.02 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 108.54 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.383 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' C ' HD23 ' A' ' 24' ' ' LEU . 12.8 m120 -93.42 45.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 61.51 110.869 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -173.26 34.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 54.42 110.85 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -8.64 58.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.887 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.67 6.37 31.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 70.45 110.936 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -151.5 -41.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.148 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.718 ' HB2' HD12 ' A' ' 24' ' ' LEU . 47.6 t30 -64.39 -27.38 68.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 62.1 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.29 -26.51 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.2 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.193 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -56.5 -23.08 37.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 44.44 110.822 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -16.82 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 62.5 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.38 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 74.45 111.119 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.49 -25.62 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 73.41 110.885 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -58.58 -27.51 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.934 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -84.07 -32.0 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.861 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp 59.81 80.25 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.915 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.58 -31.09 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.91 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.909 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 N-CA-C 112.364 -0.294 . . . . 73.31 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 p -60.25 -18.01 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 75.31 111.201 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -50.99 -29.02 11.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 61.14 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.4 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 62.31 112.547 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.12 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' HA2' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.14 111.057 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 73.2 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.54 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.097 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 14' ' ' ALA . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.21 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 70.32 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 52.42 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.79 162.01 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 24.24 112.519 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.41 55.47 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 74.33 110.936 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -172.6 34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -87.47 -40.39 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 70.03 110.819 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.91 -32.65 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.75 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.3 -31.77 54.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 62.21 111.14 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.76 -36.8 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.864 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -78.43 -30.33 47.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.15 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.31 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.132 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.8 p -56.38 -23.38 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.767 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -69.24 -15.25 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.817 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.2 6.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 64.51 111.107 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -117.92 -58.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.838 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 63.39 15.11 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.792 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -31.63 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 72.05 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -28.52 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 55.43 110.96 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 54.63 27.94 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 62.34 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.499 -0.24 . . . . 62.04 112.499 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.45 29.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.76 0.314 . . . . 63.33 111.127 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -71.31 -26.28 62.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 72.02 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 71.4 112.597 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 70.4 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA2' ' A' ' 7' ' ' GLY . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.3 111.146 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 64.5 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.33 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 62.11 110.989 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 61.44 111.067 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.23 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 52.25 111.135 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 55.11 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 65.12 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 61.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 65.41 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.08 27.3 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.22 110.908 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.38 40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.909 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.87 -46.6 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 51.13 110.774 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.02 -33.36 74.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.845 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.02 -26.92 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.146 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -61.86 -37.08 83.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.923 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -29.36 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.93 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.42 70.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 63.13 111.041 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -56.05 -23.51 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.987 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -69.2 -15.15 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.924 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 33' ' ' ILE . 2.0 mp -135.34 6.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 71.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.9 -58.89 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.901 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 63.21 15.16 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.831 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -72.01 -30.86 65.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.98 84.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.939 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 -27.69 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.813 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 65.32 110.843 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.413 -0.275 . . . . 63.42 112.413 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.42 29.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.725 0.298 . . . . 54.53 111.149 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.24 -26.23 62.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 75.23 110.935 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.33 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.14 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 54.24 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.24 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 35.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 71.43 111.172 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.45 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 73.32 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.113 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 71.15 111.029 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 63.23 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.34 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.139 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 63.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.33 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.85 52.13 3.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 51.44 112.437 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -99.73 33.97 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.45 110.855 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.1 43.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.794 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -91.92 -37.51 12.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 61.55 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -79.78 -30.54 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 64.33 110.936 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.35 -31.75 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 74.04 111.193 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.66 -36.89 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.894 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.39 -32.81 62.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 71.52 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.28 69.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.29 -23.34 36.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 52.11 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -16.27 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.915 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.08 12.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.35 111.128 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.55 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 63.45 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.98 -26.2 64.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 72.2 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -151.75 78.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -162.39 73.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.793 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -61.46 -27.81 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 75.02 110.94 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.732 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 64.41 112.478 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.47 30.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.753 0.311 . . . . 64.3 111.146 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.25 -25.72 62.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.462 . . . . 65.34 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.23 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.23 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 61.15 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.14 112.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.41 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.45 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.42 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 54.14 111.07 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 63.01 111.089 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.04 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.31 111.147 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.3 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.33 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 51.41 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.32 112.465 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HB3' HD23 ' A' ' 24' ' ' LEU . 21.7 m120 -102.48 -30.93 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 73.23 110.864 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -171.01 73.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.91 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.16 2.07 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.67 5.68 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.822 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -154.12 -41.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 73.02 111.086 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.31 -31.42 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.906 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -76.16 -28.95 57.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 72.44 110.979 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.046 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.39 -23.18 36.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 65.21 110.827 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -69.35 -16.8 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.957 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.36 13.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.48 -25.57 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 74.01 110.835 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -60.5 -27.69 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.925 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -26.87 62.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 63.33 110.887 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 61.27 84.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.869 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -130.37 70.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.23 110.848 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.824 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.536 -0.226 . . . . 74.13 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.26 -18.04 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 72.05 111.141 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -51.01 -29.05 11.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.899 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.53 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.02 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 52.23 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.515 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.13 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 14.31 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.14 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 64.31 111.033 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.15 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.42 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.24 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' HD21 ' A' ' 24' ' ' LEU . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.31 112.475 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 73.41 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 53.15 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.54 73.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.51 112.438 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -156.86 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 71.12 110.902 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 ' C ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -175.2 58.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.963 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -94.03 -33.04 13.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.62 -33.71 74.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.94 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.13 -31.77 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.41 111.094 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -68.11 -39.45 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 64.41 110.911 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -78.55 -26.61 45.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.098 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.2 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 51.24 110.89 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -16.92 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 65.43 110.878 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 13.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.38 -25.65 9.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.886 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -28.12 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.821 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 56.13 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.988 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -32.6 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -30.76 8.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 62.04 110.881 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 72.01 110.817 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.464 -0.255 . . . . 54.41 112.464 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.46 30.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 74.13 111.148 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -26.28 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.906 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 44.2 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 60.42 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.34 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 53.34 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.455 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 70.04 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.4 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 64.32 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' GLY . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.51 111.109 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.157 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.43 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 44.15 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.32 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 55.51 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.35 -94.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.34 112.563 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.17 59.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 60.13 110.824 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.49 78.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 61.03 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 t -94.0 -30.66 14.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -56.32 -38.02 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.895 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 m -66.36 -27.24 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 64.44 111.107 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -71.78 -39.57 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.852 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -78.55 -26.08 45.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 60.44 110.936 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.31 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.52 111.123 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.29 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.5 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -69.35 -16.83 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 71.22 110.842 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 14.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 64.04 111.142 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.43 -25.62 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.945 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -58.6 -26.25 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.83 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.61 73.6 1.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 71.3 110.959 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -171.86 35.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.01 110.906 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -69.81 -29.18 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.854 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.886 179.845 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.391 -0.284 . . . . 74.23 112.391 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.43 29.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 72.32 111.13 -179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.957 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.12 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.12 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.55 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 74.12 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 14' ' ' ALA . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 63.12 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.03 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.15 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.064 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 63.5 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.2 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 61.45 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.6 50.74 1.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.22 112.388 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -99.43 33.44 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 75.31 110.874 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.62 38.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.948 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -75.3 -49.5 19.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.856 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.85 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.931 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.04 -22.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 70.32 111.162 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.62 -40.18 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.25 110.796 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -78.59 -25.84 45.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.45 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.43 111.029 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.0 p -56.28 -23.32 35.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.87 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -69.2 -15.42 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.851 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.11 6.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 54.35 111.134 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -117.91 -58.88 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 60.45 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.28 15.02 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.01 110.916 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 56.33 83.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -99.92 -30.31 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.94 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -64.42 -26.17 68.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.842 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.846 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.449 -0.26 . . . . 74.35 112.449 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.51 30.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 64.14 111.228 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -25.89 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.14 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 42.4 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 65.21 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 52.1 112.524 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.4 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.31 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.33 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' GLY . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.01 111.182 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 55.53 110.997 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.42 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 70.22 111.151 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.21 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 74.13 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 55.15 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.3 42.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 61.41 112.471 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.46 92.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 71.52 110.828 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.02 38.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.933 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -73.51 -42.46 61.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 41.43 110.84 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -33.41 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.848 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 38' ' ' LYS . 92.0 t -64.06 -23.42 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.055 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -69.31 -38.79 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 63.13 110.85 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.14 -25.71 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.995 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.52 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 65.4 111.191 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.0 p -56.23 -23.44 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.797 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.22 -15.28 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.9 mp -135.1 6.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.45 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -117.89 -59.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.03 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 63.07 15.33 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 70.1 110.944 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -80.05 -74.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.42 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 62.5 110.879 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.845 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.534 -0.226 . . . . 53.13 112.534 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.36 29.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 74.32 111.145 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.25 -25.63 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.96 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.01 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.25 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.31 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.1 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 44.05 112.488 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.03 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.53 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.1 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.161 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.4 111.009 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 54.32 111.203 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 51.35 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.35 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.05 -101.25 0.48 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.13 112.464 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -147.52 85.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.918 0.39 . . . . 62.31 110.876 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 81.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.916 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -93.83 -27.47 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.795 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -30.09 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.822 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 m -77.07 -27.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.142 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.43 -47.44 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 71.13 110.925 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.36 -30.82 60.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 73.31 110.892 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.36 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 64.34 111.021 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.18 -23.29 34.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.2 110.832 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -69.37 -16.81 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 71.12 110.867 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.34 13.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 71.01 111.132 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.35 -25.63 9.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.992 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -59.19 -27.38 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -29.55 46.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.992 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 52.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.13 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -53.81 -31.97 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 65.35 110.916 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 70.04 110.839 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.396 -0.282 . . . . 50.01 112.396 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.26 -18.05 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 74.32 111.131 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -50.97 -29.05 11.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 64.11 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 64.22 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.01 112.486 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 61.31 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 21.24 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 63.21 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.43 111.122 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.115 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 73.33 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 35.5 111.096 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.478 ' C ' HD21 ' A' ' 24' ' ' LEU . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.33 112.426 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.4 110.792 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 63.23 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.13 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.27 63.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.14 112.398 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 24' ' ' LEU . 10.3 m120 -141.0 37.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.367 . . . . 64.25 110.861 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -175.17 79.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 73.33 110.905 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.52 -34.8 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.08 -32.53 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.785 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.4 t -85.68 -22.06 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.194 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.4 -50.1 74.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.85 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -68.36 -30.99 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.972 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.42 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.25 111.141 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.25 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 71.24 110.822 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -16.19 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.1 mp -137.14 12.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.4 111.072 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.43 -25.55 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.874 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.879 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 pttt 39.29 42.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.862 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -115.2 -28.64 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 50.42 110.819 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -126.7 61.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 73.42 110.874 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.787 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 70.21 112.508 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.46 29.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.75 0.31 . . . . 74.44 111.243 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.43 -26.14 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.825 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 72.24 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 62.21 112.449 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.45 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 45.01 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' HA2' ' A' ' 7' ' ' GLY . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 72.4 111.188 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.53 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.53 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 44.14 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.31 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.31 111.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 44.35 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 40.59 2.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.21 112.523 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.8 56.51 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 71.54 110.903 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 19' ' ' LYS . 1.7 pt? -172.55 38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.949 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.39 -49.52 11.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 73.01 110.809 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.22 -33.89 76.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 75.05 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.14 -23.69 33.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 71.11 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -66.48 -37.95 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.05 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -75.2 -28.75 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.26 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 55.44 111.044 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.22 35.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.876 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -69.39 -16.83 63.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 74.41 110.96 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.35 13.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 71.43 111.125 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.38 -25.74 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -60.48 -26.89 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.966 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.7 87.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 62.44 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.15 -34.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 73.14 110.96 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -32.53 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.812 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 73.11 110.844 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.468 -0.253 . . . . 74.32 112.468 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.43 29.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 74.4 111.202 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.35 -25.65 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.853 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.42 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.22 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 62.41 112.419 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.13 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 7' ' ' GLY . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 53.03 111.128 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 65.1 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.1 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.3 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.21 111.023 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 62.12 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 64.14 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.32 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.42 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.92 32.64 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.494 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -101.86 27.65 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 74.35 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 89.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 72.13 110.925 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -93.99 -33.85 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 52.03 110.858 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.78 -35.57 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.852 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -31.78 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.7 -36.65 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.896 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.6 -32.78 71.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.36 69.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 71.1 111.14 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.32 -23.2 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 65.32 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -69.37 -16.74 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.918 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.37 14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.17 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.46 -25.81 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.9 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -59.06 -26.82 64.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 72.34 111.0 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 54.4 72.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.22 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.82 -26.62 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.998 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -57.8 -29.99 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.971 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.784 179.877 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.194 0 N-CA-C 112.478 -0.249 . . . . 44.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.38 29.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 72.24 111.224 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.33 -26.31 62.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 24.41 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.1 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.34 112.422 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 73.54 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 34.13 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 65.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.53 111.085 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.05 111.137 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 70.14 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 53.35 111.271 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.43 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.03 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 63.44 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.43 88.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.499 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.542 ' C ' HD23 ' A' ' 24' ' ' LEU . 24.8 m-80 -140.02 35.35 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 70.44 110.832 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -173.83 67.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.913 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -77.37 -8.64 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -86.72 6.46 31.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 72.12 110.873 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -151.51 -41.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 60.44 111.13 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -63.36 -27.33 69.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.86 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.2 -26.33 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 51.31 111.022 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -56.29 -23.32 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.883 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -69.19 -15.31 63.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.891 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.13 6.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.55 111.136 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.72 -58.84 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.45 110.904 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.31 15.02 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -29.81 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.4 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 53.42 61.82 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 44.13 110.91 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 55.59 61.64 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 65.1 110.868 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.841 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 112.361 -0.296 . . . . 72.03 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.27 -18.16 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 74.43 111.124 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.84 -28.99 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.13 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.31 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.52 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.407 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 7' ' ' GLY . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 70.33 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 32.31 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 73.34 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.55 111.146 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 34.43 111.096 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 61.44 111.138 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.11 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.24 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.52 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.1 158.54 19.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.41 112.561 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.16 -33.54 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 75.43 110.835 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mp 40.35 69.8 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.866 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -93.27 -50.17 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.788 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -33.89 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.18 -23.64 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 51.4 111.13 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -66.49 -38.17 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.852 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -78.35 -32.61 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 75.25 110.943 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.3 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 55.42 111.152 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.26 -23.15 34.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 55.12 110.879 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.42 -16.95 63.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 75.24 110.821 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 14.06 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 54.44 111.092 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.32 -25.62 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 52.35 110.962 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -26.38 68.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 74.34 110.858 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.22 54.51 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 65.34 110.813 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.61 30.3 6.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.912 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -91.12 -26.39 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.53 110.858 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.893 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.451 -0.26 . . . . 63.51 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 p -60.4 -18.03 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 72.33 111.027 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -50.92 -29.1 11.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.965 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.44 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.04 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 25.02 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.22 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.43 112.545 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 70.41 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 71.41 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.131 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.115 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.01 111.1 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.31 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.44 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.03 -166.44 36.7 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.02 112.44 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.18 27.16 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 70.53 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mp 40.47 72.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.814 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.08 -50.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.45 110.836 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.98 -33.52 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.858 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.26 -23.74 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.091 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.33 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -30.3 47.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.37 69.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.37 -23.26 36.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 53.04 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -69.3 -16.32 63.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 70.12 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.09 12.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.153 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.42 -25.56 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.959 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -61.91 -26.26 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 53.22 110.78 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -151.95 88.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 73.51 110.865 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.39 35.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.861 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt 54.42 83.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 74.41 110.888 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 63.34 110.853 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.457 -0.257 . . . . 75.54 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.36 -17.95 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.1 111.213 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.97 -29.05 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.92 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.52 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.1 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 53.52 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.14 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.41 112.554 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.04 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.13 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.54 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 71.15 111.178 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.42 111.138 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.22 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.115 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.35 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.03 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.67 44.4 97.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 54.14 112.455 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -141.93 34.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 74.12 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp 40.37 66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 53.22 110.863 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -90.73 -51.11 5.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.53 110.867 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.05 -33.7 72.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.951 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.18 -23.83 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 75.3 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -66.36 -38.11 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.89 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.95 -31.0 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 63.3 110.987 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.152 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.13 36.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 73.55 110.845 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.39 -16.81 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.896 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.37 14.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.156 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.53 -25.73 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -88.82 9.15 25.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.956 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 62.15 73.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -70.34 -27.87 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.944 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -131.76 58.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 73.4 110.88 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.869 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.739 0.304 . . . . 72.44 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 72.24 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.14 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.519 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 64.23 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 73.3 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 62.23 111.095 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 54.22 111.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.01 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.43 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.11 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.21 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.13 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 53.35 112.526 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.76 0.315 . . . . 73.12 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.42 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.41 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.24 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 33.15 112.485 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 73.42 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.24 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 65.33 111.11 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 64.32 111.149 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 70.43 111.186 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 41.14 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 62.23 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 62.05 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 43.14 112.442 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.665 0.269 . . . . 44.31 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 71.12 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.15 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.24 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.34 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.11 112.501 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 64.34 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 52.2 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.43 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 70.3 111.143 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.121 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 61.24 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.12 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.34 112.446 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 72.04 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.22 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 64.54 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 71.05 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 61.42 112.459 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 61.32 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.11 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.14 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.073 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 51.52 111.002 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.35 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 61.23 111.114 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.41 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 72.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.02 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.383 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.734 0.302 . . . . 74.13 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 61.14 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.4 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 62.31 112.547 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.12 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' HA2' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.14 111.057 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 73.2 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.54 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.097 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 14' ' ' ALA . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.21 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 70.32 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 52.42 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 24.24 112.519 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.785 0.326 . . . . 74.44 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 72.02 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 71.4 112.597 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 70.4 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA2' ' A' ' 7' ' ' GLY . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.3 111.146 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 64.5 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.33 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 62.11 110.989 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 61.44 111.067 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.23 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 52.25 111.135 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 55.11 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 65.12 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 65.41 112.484 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.834 0.35 . . . . 75.23 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.33 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.14 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 54.24 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.24 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 35.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 71.43 111.172 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.45 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 73.32 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.113 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 71.15 111.029 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 63.23 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.34 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.139 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 63.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.33 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 51.44 112.437 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.768 0.318 . . . . 65.34 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.23 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.23 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 61.15 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.14 112.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.41 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.45 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.42 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 54.14 111.07 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 63.01 111.089 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.04 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.31 111.147 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.3 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.33 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 51.41 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.32 112.465 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.714 0.292 . . . . 73.13 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.53 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.02 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 52.23 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.515 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.13 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 14.31 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.14 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 64.31 111.033 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.15 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.42 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.24 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.31 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 73.41 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 53.15 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.51 112.438 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.819 0.342 . . . . 72.21 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 44.2 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 60.42 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.34 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 53.34 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.455 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 70.04 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.4 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 64.32 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' GLY . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.51 111.109 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.157 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.43 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 44.15 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.32 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 55.51 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.34 112.563 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 74.2 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.12 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.12 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.55 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 74.12 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 14' ' ' ALA . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 63.12 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.03 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.15 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.064 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 63.5 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.2 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 61.45 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.22 112.388 179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.737 0.304 . . . . 75.42 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.14 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 42.4 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 65.21 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 52.1 112.524 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.4 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.31 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.33 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' GLY . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.01 111.182 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 55.53 110.997 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.42 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 70.22 111.151 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.21 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 74.13 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 55.15 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 61.41 112.471 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.803 0.335 . . . . 71.24 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.01 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.25 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.31 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.1 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 44.05 112.488 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.03 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.53 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.1 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.161 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.4 111.009 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 54.32 111.203 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 51.35 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.35 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.13 112.464 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 72.32 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 64.11 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 64.22 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.01 112.486 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 61.31 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 21.24 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 63.21 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.43 111.122 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.115 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 73.33 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 35.5 111.096 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.33 112.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.4 110.792 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 63.23 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.13 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.14 112.398 179.798 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.657 0.265 . . . . 74.24 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 72.24 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.415 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 62.21 112.449 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.45 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 45.01 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' HA2' ' A' ' 7' ' ' GLY . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 72.4 111.188 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.53 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.53 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 44.14 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.31 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.31 111.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 44.35 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.21 112.523 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.68 0.276 . . . . 65.2 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.42 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.22 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 62.41 112.419 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.13 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 7' ' ' GLY . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 53.03 111.128 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 65.1 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.1 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.3 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.21 111.023 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 62.12 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 64.14 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.32 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.42 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.494 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 64.42 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 24.41 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.1 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.34 112.422 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 73.54 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 34.13 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 65.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.53 111.085 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.05 111.137 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 70.14 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 53.35 111.271 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.43 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.03 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 63.44 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.499 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.779 0.324 . . . . 74.23 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.13 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.31 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.52 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.407 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 7' ' ' GLY . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 70.33 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 32.31 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 73.34 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.55 111.146 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 34.43 111.096 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 61.44 111.138 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.11 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.24 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.52 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.41 112.561 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.819 0.342 . . . . 73.43 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.44 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.04 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 25.02 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.22 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.43 112.545 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 70.41 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 71.41 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.131 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.115 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.01 111.1 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.31 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.44 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.02 112.44 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.826 0.346 . . . . 74.31 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.52 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.1 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 53.52 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.14 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.41 112.554 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.04 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.13 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.54 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 71.15 111.178 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.42 111.138 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.22 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.115 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.35 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.03 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 54.14 112.455 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 73.11 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.32 -18.04 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 74.24 111.079 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.96 -29.06 11.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.4 . . . . 72.44 110.889 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -49.47 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.869 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -78.46 -45.18 22.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 61.22 110.815 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -61.22 -28.43 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 72.24 111.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -28.08 54.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.42 112.473 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -30.63 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 63.14 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -82.47 -56.61 2.78 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 72.42 112.519 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.38 -29.24 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.957 0.408 . . . . 64.23 111.195 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.8 -51.78 50.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 62.43 112.45 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -32.68 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 73.3 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.7 t -69.35 -40.37 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 62.23 111.095 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.21 -32.3 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 54.22 111.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -73.54 -29.64 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 74.01 110.845 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -78.25 -43.91 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.96 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.4 p -68.29 -33.54 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.43 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.62 -53.37 29.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.72 . . . . 73.11 112.498 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -31.02 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.21 110.925 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.92 71.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.13 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.98 -32.61 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.81 -28.05 2.66 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 53.35 112.526 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 59.26 86.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 74.12 110.822 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.36 39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.15 110.82 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -93.73 -46.97 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 70.41 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.95 -33.25 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 m -65.39 -26.9 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 61.31 111.066 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.39 -37.06 82.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.788 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -77.24 -29.99 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.12 110.932 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.32 69.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.2 35.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -69.37 -16.87 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.835 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.36 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 75.32 111.07 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.67 9.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -26.49 64.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -28.11 67.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.797 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -127.36 40.7 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.23 110.893 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -103.13 30.23 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 73.41 110.907 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 65.23 110.856 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.432 -0.267 . . . . 74.32 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 p -60.43 -18.0 48.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.739 0.304 . . . . 74.51 111.102 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -51.0 -29.01 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -49.38 76.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -45.28 22.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.751 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.18 -28.31 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 62.42 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 -42.96 8.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 71.41 112.532 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 49.21 65.84 1.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 74.24 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 158.75 -78.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 33.15 112.485 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.44 -29.48 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 73.42 111.092 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.68 -51.61 52.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 70.25 112.598 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -77.52 -32.61 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 74.24 110.907 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.3 t -69.66 -39.85 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 65.33 111.11 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.29 50.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 64.32 111.149 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -73.21 -29.09 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.5 -44.57 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.953 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.34 -34.9 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 70.43 111.186 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 -42.54 89.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 41.14 112.541 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -33.03 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 62.23 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.78 -30.48 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 62.05 111.121 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.13 -28.33 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.82 -131.83 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 43.14 112.442 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -158.26 -41.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.31 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -171.65 31.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -87.9 -49.46 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 43.21 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -31.85 69.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -64.05 -22.89 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 51.53 111.112 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.65 -40.15 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.854 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.53 -26.04 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.872 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.3 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 72.33 111.122 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.32 35.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 75.1 110.823 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -69.38 -16.7 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 54.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.9 mp -137.33 13.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 70.51 111.124 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.34 -25.66 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -62.0 -26.68 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -69.75 -31.24 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -152.96 84.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.894 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -105.16 48.11 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.009 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.933 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.462 -0.255 . . . . 64.03 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.33 -18.01 46.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.677 0.275 . . . . 71.11 111.097 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -50.98 -29.08 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 44.31 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.9 -49.55 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 71.12 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.28 -45.39 22.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.886 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.97 -28.54 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.15 111.212 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 -31.81 41.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 71.24 112.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -64.07 -41.85 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.34 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.31 -68.95 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.648 -0.787 . . . . 72.11 112.501 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.17 -29.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 64.34 111.166 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.99 49.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 52.2 112.451 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -77.52 -32.75 54.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 74.43 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.3 t -69.27 -39.73 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 70.3 111.143 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.41 -32.44 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.121 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -73.18 -29.2 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.867 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -78.39 -44.61 24.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.907 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.36 -34.93 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.33 -42.69 89.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 61.24 112.551 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -72.77 -33.03 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 72.12 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.83 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.134 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -26.43 56.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 -175.39 26.4 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 63.34 112.446 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.49 86.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 71.43 111.017 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -169.15 92.58 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.32 110.929 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -35.1 65.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.922 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -56.33 -38.24 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.833 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.546 ' CG2' HD22 ' A' ' 24' ' ' LEU . 93.9 t -65.11 -24.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.43 111.063 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -73.13 -32.17 64.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.28 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.22 -23.3 34.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 63.43 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -69.38 -16.81 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 53.45 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.4 13.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 72.23 111.11 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.44 -25.6 9.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.806 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -26.48 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -85.37 56.24 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 61.24 110.766 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -116.94 48.03 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 63.12 110.881 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -106.99 -28.86 9.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.868 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 70.15 110.775 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 62.31 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -17.94 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 73.31 111.057 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.12 -28.99 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.836 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -49.5 76.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 74.22 110.888 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.5 -45.15 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.13 -28.41 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.213 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 -25.44 59.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 64.54 112.459 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.72 -28.44 69.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 71.05 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.09 -67.4 1.6 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.669 -0.777 . . . . 61.42 112.459 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -52.53 -29.12 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 61.32 111.178 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.04 -51.58 52.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.799 -0.715 . . . . 73.11 112.45 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -77.53 -32.52 54.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 74.14 110.806 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.1 t -69.76 -40.1 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.073 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.48 -32.29 49.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 51.52 111.002 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 75.35 110.964 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -78.54 -44.38 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.2 p -67.54 -34.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 61.23 111.114 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.61 95.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 73.41 112.447 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -72.9 -31.94 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 72.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.13 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 61.02 111.025 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.2 -32.76 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 108.54 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.383 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' C ' HD23 ' A' ' 24' ' ' LEU . 12.8 m120 -93.42 45.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 61.51 110.869 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -173.26 34.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 54.42 110.85 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -8.64 58.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.887 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.67 6.37 31.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 70.45 110.936 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -151.5 -41.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.148 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.718 ' HB2' HD12 ' A' ' 24' ' ' LEU . 47.6 t30 -64.39 -27.38 68.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 62.1 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.29 -26.51 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.2 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.193 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -56.5 -23.08 37.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 44.44 110.822 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -16.82 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 62.5 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.38 14.07 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 74.45 111.119 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.49 -25.62 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 73.41 110.885 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -58.58 -27.51 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.934 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -84.07 -32.0 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.861 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp 59.81 80.25 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.915 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.58 -31.09 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.91 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.909 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.208 0 N-CA-C 112.364 -0.294 . . . . 73.31 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 p -60.25 -18.01 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 75.31 111.201 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -50.99 -29.02 11.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -49.46 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 61.14 110.811 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -45.21 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.824 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.13 -28.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.4 111.022 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -78.72 -29.97 50.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 62.31 112.547 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -76.08 -22.38 55.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 70.12 110.978 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.83 -45.1 2.73 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.626 -0.797 . . . . 64.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' HA2' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -57.91 -19.45 12.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 75.14 111.057 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -24.07 15.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 73.2 112.54 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -159.38 -40.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.798 0.332 . . . . 74.54 110.858 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.24 -37.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.106 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -51.93 -31.65 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.097 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.89 -37.61 67.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.73 -44.68 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.99 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 14' ' ' ALA . 10.7 p -67.48 -34.52 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 71.52 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.42 84.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 64.21 112.61 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -72.87 -32.88 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 70.32 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.03 -26.97 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.173 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -27.99 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 52.42 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.79 162.01 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 24.24 112.519 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.41 55.47 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 74.33 110.936 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -172.6 34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -87.47 -40.39 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 70.03 110.819 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.91 -32.65 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.75 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.3 -31.77 54.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 62.21 111.14 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.76 -36.8 79.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.864 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -78.43 -30.33 47.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.15 110.902 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.31 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.132 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.8 p -56.38 -23.38 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.767 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -69.24 -15.25 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.817 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.2 6.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 64.51 111.107 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -117.92 -58.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.838 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 63.39 15.11 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.792 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -31.63 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 72.05 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.97 -28.52 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 55.43 110.96 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 54.63 27.94 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 62.34 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.499 -0.24 . . . . 62.04 112.499 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.45 29.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.76 0.314 . . . . 63.33 111.127 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -71.31 -26.28 62.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.4 -43.44 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.89 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.27 -43.95 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.29 -53.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 72.02 111.117 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -53.16 -27.88 32.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.645 -0.788 . . . . 71.4 112.597 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -27.0 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.327 . . . . 70.4 110.893 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -91.16 -63.01 1.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.615 -0.802 . . . . 54.43 112.456 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA2' ' A' ' 7' ' ' GLY . 19.8 tt -52.46 -29.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 70.3 111.146 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.56 -51.93 50.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 64.5 112.536 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -77.48 -32.84 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.33 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.7 t -69.32 -40.27 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 62.11 110.989 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.9 46.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 61.44 111.067 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.27 -31.28 65.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.941 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -76.15 -44.65 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 72.23 110.898 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.39 -34.92 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.404 . . . . 52.25 111.135 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.65 -43.66 93.96 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.821 -0.704 . . . . 55.11 112.52 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -72.84 -32.73 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.74 0.305 . . . . 65.12 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.82 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.5 111.141 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -35.75 81.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 61.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 65.41 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.08 27.3 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.22 110.908 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.38 40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.909 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.87 -46.6 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 51.13 110.774 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.02 -33.36 74.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.845 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.02 -26.92 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.146 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -61.86 -37.08 83.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.923 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -29.36 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.93 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.42 70.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 63.13 111.041 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -56.05 -23.51 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.987 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -69.2 -15.15 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.924 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 33' ' ' ILE . 2.0 mp -135.34 6.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 71.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.9 -58.89 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.901 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 63.21 15.16 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.831 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -72.01 -30.86 65.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.98 84.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.939 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 -27.69 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.813 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 65.32 110.843 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.413 -0.275 . . . . 63.42 112.413 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.42 29.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.725 0.298 . . . . 54.53 111.149 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.24 -26.23 62.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 75.23 110.935 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.4 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 74.33 110.818 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.35 -44.05 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.14 110.842 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -75.35 -53.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.17 -37.39 91.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.634 -0.794 . . . . 54.24 112.558 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 49.11 49.43 19.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.372 . . . . 74.24 111.0 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -175.28 -68.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 35.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -54.19 -27.27 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 71.43 111.172 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.26 -52.42 47.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 65.45 112.47 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -77.45 -32.59 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 73.32 110.888 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 94.8 t -68.95 -40.82 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.113 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.21 49.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 71.15 111.029 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -73.29 -29.23 62.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 63.23 110.896 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -78.48 -44.43 24.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 72.34 110.951 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.91 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.139 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.56 -42.57 88.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.758 -0.734 . . . . 63.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -32.93 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 72.33 110.964 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.51 66.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.045 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 mt -87.34 -26.76 23.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.848 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.85 52.13 3.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 51.44 112.437 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -99.73 33.97 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.45 110.855 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.1 43.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.794 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 p -91.92 -37.51 12.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 61.55 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -79.78 -30.54 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 64.33 110.936 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.35 -31.75 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 74.04 111.193 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -60.66 -36.89 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.894 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.39 -32.81 62.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 71.52 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.28 69.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.29 -23.34 36.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 52.11 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -16.27 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.915 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.08 12.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.35 111.128 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -25.55 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 63.45 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.98 -26.2 64.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 72.2 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -151.75 78.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -162.39 73.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.793 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -61.46 -27.81 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 75.02 110.94 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.732 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 64.41 112.478 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.47 30.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.753 0.311 . . . . 64.3 111.146 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.25 -25.72 62.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.185 -0.462 . . . . 65.34 110.899 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.0 -43.6 52.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.858 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.32 -30.36 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.23 111.067 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.74 -45.1 8.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.822 -0.704 . . . . 64.23 112.476 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -76.62 64.94 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 61.15 110.914 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -162.67 -49.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.807 -0.711 . . . . 53.14 112.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.07 -27.69 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.41 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.01 -51.68 51.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 73.45 112.38 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.45 -32.73 54.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 73.42 110.922 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.27 -40.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 54.14 111.07 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.42 -32.23 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 63.01 111.089 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -73.2 -29.26 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -78.43 -44.45 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 72.04 110.954 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.54 -34.8 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.31 111.147 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.58 88.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 72.3 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -72.85 -32.9 65.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 72.33 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.65 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 51.41 111.117 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.01 -27.32 33.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.954 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 71.32 112.465 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HB3' HD23 ' A' ' 24' ' ' LEU . 21.7 m120 -102.48 -30.93 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 73.23 110.864 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -171.01 73.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.91 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.16 2.07 41.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -86.67 5.68 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.822 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -154.12 -41.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 73.02 111.086 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.31 -31.42 72.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.906 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -76.16 -28.95 57.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 72.44 110.979 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.046 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.39 -23.18 36.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 65.21 110.827 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -69.35 -16.8 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.957 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.36 13.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.48 -25.57 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 74.01 110.835 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -60.5 -27.69 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.925 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -26.87 62.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 63.33 110.887 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 61.27 84.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.869 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -130.37 70.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.23 110.848 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.824 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.536 -0.226 . . . . 74.13 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 p -60.26 -18.04 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 72.05 111.141 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -51.01 -29.05 11.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.899 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.33 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.58 -45.02 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.924 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.34 -28.38 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.53 111.007 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.39 16.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 71.02 112.584 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.57 64.94 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 52.23 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 172.96 -41.16 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.515 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tt -64.66 -20.0 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 75.13 111.198 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.47 22.24 33.95 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 14.31 112.535 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -153.14 -41.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 74.14 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.6 t -60.49 -49.13 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 64.31 111.033 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -52.8 -32.57 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.15 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.53 -31.42 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 72.42 110.93 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -75.95 -44.7 38.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 74.24 110.966 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.46 -34.77 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' HD21 ' A' ' 24' ' ' LEU . . . -67.31 -42.74 89.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.691 -0.766 . . . . 73.31 112.475 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.75 -32.97 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 73.41 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.17 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 53.15 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -27.87 22.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.941 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.54 73.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.51 112.438 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -156.86 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 71.12 110.902 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 ' C ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -175.2 58.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.963 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -94.03 -33.04 13.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.62 -33.71 74.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.94 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.13 -31.77 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.41 111.094 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -68.11 -39.45 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 64.41 110.911 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -78.55 -26.61 45.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.098 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.2 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 51.24 110.89 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -16.92 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 65.43 110.878 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 13.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.38 -25.65 9.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.886 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -28.12 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.821 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 56.13 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.988 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -32.6 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -30.76 8.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 62.04 110.881 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 72.01 110.817 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.464 -0.255 . . . . 54.41 112.464 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.46 30.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 74.13 111.148 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -26.28 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.906 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.5 -43.32 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.1 110.861 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -79.36 -44.18 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 44.2 110.757 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.34 -53.51 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 60.42 111.109 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.18 -41.43 80.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.785 -0.721 . . . . 73.34 112.557 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 49.36 68.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 53.34 110.94 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.52 -53.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.455 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.74 -29.97 11.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 70.04 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.74 -48.91 67.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 61.4 112.53 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -77.5 -33.68 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 64.32 110.891 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' GLY . 97.9 t -70.08 -41.14 79.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 73.51 111.109 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.53 -32.16 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.157 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -73.19 -29.38 62.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.886 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -78.36 -44.47 24.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.908 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.47 -34.94 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 65.43 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -42.64 89.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 44.15 112.531 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -32.93 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 75.32 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.09 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 55.51 111.087 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -25.1 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.35 -94.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 60.34 112.563 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -103.17 59.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 60.13 110.824 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.49 78.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 61.03 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 t -94.0 -30.66 14.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -56.32 -38.02 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.895 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 m -66.36 -27.24 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 64.44 111.107 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -71.78 -39.57 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.852 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -78.55 -26.08 45.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 60.44 110.936 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.31 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.52 111.123 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.26 -23.29 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.5 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -69.35 -16.83 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 71.22 110.842 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 14.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 64.04 111.142 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.43 -25.62 9.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.945 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -58.6 -26.25 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.83 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.61 73.6 1.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 71.3 110.959 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -171.86 35.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.01 110.906 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -69.81 -29.18 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.854 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.886 179.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.391 -0.284 . . . . 74.23 112.391 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.43 29.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 72.32 111.13 -179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.957 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.19 -43.46 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -43.9 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.886 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.47 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.12 111.191 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -44.99 8.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 53.12 112.507 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 64.91 2.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.833 0.349 . . . . 71.55 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.33 -27.45 0.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 74.12 112.528 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 14' ' ' ALA . 12.7 tt -58.2 -19.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 72.25 111.197 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.92 -24.54 14.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 63.12 112.555 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -159.35 -40.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.871 0.367 . . . . 74.03 110.9 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -50.45 -36.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.15 111.159 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -52.77 -31.22 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.064 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.04 -40.1 68.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.829 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -67.15 -45.14 77.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.925 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.52 -34.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 72.14 111.164 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.29 -42.45 82.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 63.5 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.73 -33.09 66.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 73.2 110.927 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -28.94 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 61.45 111.105 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.57 -26.48 55.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.956 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.6 50.74 1.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 72.22 112.388 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -99.43 33.44 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 75.31 110.874 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.62 38.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.948 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -75.3 -49.5 19.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.856 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.85 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.931 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.04 -22.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 70.32 111.162 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -74.62 -40.18 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.25 110.796 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -78.59 -25.84 45.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.854 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.45 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.43 111.029 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 84.0 p -56.28 -23.32 35.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.87 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -69.2 -15.42 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.851 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.11 6.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 54.35 111.134 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -117.91 -58.88 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 60.45 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.28 15.02 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.01 110.916 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 56.33 83.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -99.92 -30.31 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.94 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -64.42 -26.17 68.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.842 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.846 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.449 -0.26 . . . . 74.35 112.449 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.51 30.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 64.14 111.228 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.36 -25.89 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -43.44 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 72.14 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -44.05 22.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 73.23 110.853 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.3 mt -75.21 -29.03 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -43.16 7.51 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.694 -0.765 . . . . 42.4 112.491 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.3 64.5 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 65.21 110.899 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 175.57 -38.04 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 52.1 112.524 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 tt -52.05 -29.7 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 73.4 111.209 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.46 53.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.842 -0.694 . . . . 74.31 112.428 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -77.36 -32.62 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 74.33 110.794 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' GLY . 88.8 t -69.5 -40.84 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.01 111.182 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.75 -31.06 47.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 55.53 110.997 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.42 110.888 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -77.12 -44.07 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 14' ' ' ALA . 11.5 p -68.18 -33.59 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 70.22 111.151 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.64 -53.38 29.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 74.21 112.435 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 74.13 110.797 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.11 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 55.15 111.052 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mt -75.76 -26.22 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.918 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.3 42.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 61.41 112.471 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.46 92.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 71.52 110.828 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.02 38.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.933 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -73.51 -42.46 61.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 41.43 110.84 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -33.41 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.848 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 38' ' ' LYS . 92.0 t -64.06 -23.42 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.055 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -69.31 -38.79 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 63.13 110.85 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.14 -25.71 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.995 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.52 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 65.4 111.191 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.0 p -56.23 -23.44 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.797 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.22 -15.28 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.9 mp -135.1 6.32 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.45 111.148 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -117.89 -59.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.03 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 63.07 15.33 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 70.1 110.944 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -80.05 -74.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.42 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 62.5 110.879 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.845 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.534 -0.226 . . . . 53.13 112.534 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.36 29.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.318 . . . . 74.32 111.145 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.25 -25.63 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.96 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.04 -43.56 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 74.01 110.903 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -43.89 23.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.25 -30.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.25 111.226 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -44.92 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 74.31 112.413 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -76.61 64.92 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 71.1 110.973 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . . . 166.69 -45.83 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 44.05 112.488 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tp -52.69 -29.51 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 74.03 111.138 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.36 59.04 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 73.53 112.509 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -77.52 -32.58 54.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 71.1 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' GLY . 93.0 t -70.31 -40.63 78.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.161 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.46 -32.3 49.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 64.4 111.009 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 71.3 110.892 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -78.44 -44.6 24.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.905 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.5 p -67.27 -34.95 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 54.32 111.203 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.51 -42.57 88.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 51.35 112.477 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -72.92 -32.77 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 74.35 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.45 -29.57 66.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.031 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -27.21 62.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.824 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.05 -101.25 0.48 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.78 -0.724 . . . . 63.13 112.464 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -147.52 85.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.918 0.39 . . . . 62.31 110.876 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 81.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.916 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -93.83 -27.47 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.795 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -30.09 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.822 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 m -77.07 -27.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.142 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.43 -47.44 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 71.13 110.925 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.36 -30.82 60.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 73.31 110.892 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.36 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 64.34 111.021 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.18 -23.29 34.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.2 110.832 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -69.37 -16.81 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 71.12 110.867 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.34 13.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 71.01 111.132 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.35 -25.63 9.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.992 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -59.19 -27.38 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -29.55 46.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.992 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.17 52.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.13 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -53.81 -31.97 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 65.35 110.916 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 70.04 110.839 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.396 -0.282 . . . . 50.01 112.396 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.26 -18.05 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 74.32 111.131 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -50.97 -29.05 11.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.48 75.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 64.11 110.849 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -45.14 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.856 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.25 -28.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.05 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 -33.27 34.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.833 -0.699 . . . . 73.5 112.457 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -26.61 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 64.22 110.922 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -85.97 -56.49 2.31 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 70.01 112.486 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tt -52.42 -29.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 61.31 111.209 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.11 -51.3 54.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.8 -0.714 . . . . 21.24 112.412 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -77.44 -32.51 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 63.21 110.837 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.6 t -69.99 -40.25 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.43 111.122 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.39 -32.29 48.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.115 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.3 -29.19 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -78.48 -44.51 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 73.33 110.914 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.45 -34.8 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 35.5 111.096 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.478 ' C ' HD21 ' A' ' 24' ' ' LEU . . . -67.56 -42.59 88.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.33 112.426 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 ptmt -72.85 -33.03 65.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.319 . . . . 75.4 110.792 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.18 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 63.23 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.16 -28.19 32.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 73.13 110.919 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.27 63.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 70.14 112.398 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 24' ' ' LEU . 6.9 m-80 -141.0 37.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.367 . . . . 64.25 110.861 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -175.17 79.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 73.33 110.905 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.52 -34.8 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.08 -32.53 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.785 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.4 t -85.68 -22.06 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.194 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.4 -50.1 74.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.85 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -68.36 -30.99 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.972 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.42 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.25 111.141 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.25 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 71.24 110.822 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -16.19 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.1 mp -137.14 12.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.4 111.072 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.43 -25.55 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.874 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.879 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 pttt 39.29 42.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.862 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -115.2 -28.64 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 50.42 110.819 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -126.7 61.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 73.42 110.874 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.787 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 70.21 112.508 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.46 29.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.75 0.31 . . . . 74.44 111.243 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.43 -26.14 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.825 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.47 -43.47 55.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.319 -0.4 . . . . 63.43 110.927 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.3 -44.1 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -75.26 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 72.24 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' HA2' HG22 ' A' ' 10' ' ' ILE . . . -54.06 -26.37 34.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 62.21 112.449 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.51 -27.62 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 74.45 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 -56.45 1.98 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.817 -0.706 . . . . 45.01 112.441 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' HA2' ' A' ' 7' ' ' GLY . 1.6 tt -57.09 -25.26 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 72.4 111.188 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.32 28.46 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 50.43 112.513 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.81 -41.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.53 110.794 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.91 -34.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 62.53 111.047 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.35 -33.33 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 44.14 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -72.46 -29.09 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.31 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -78.44 -44.51 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.852 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 8.9 p -67.47 -35.0 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 64.31 111.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.24 -42.73 90.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.455 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -72.63 -32.98 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 74.5 110.958 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.91 -31.57 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.63 -27.63 62.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 44.35 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 40.59 2.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 73.21 112.523 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.8 56.51 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 71.54 110.903 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 19' ' ' LYS . 1.7 pt? -172.55 38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.949 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.39 -49.52 11.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 73.01 110.809 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.22 -33.89 76.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 75.05 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.14 -23.69 33.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 71.11 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -66.48 -37.95 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.05 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -75.2 -28.75 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.04 -27.26 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 55.44 111.044 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.28 -23.22 35.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.876 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -69.39 -16.83 63.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 74.41 110.96 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.35 13.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 71.43 111.125 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.38 -25.74 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -60.48 -26.89 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.966 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.7 87.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 62.44 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.15 -34.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 73.14 110.96 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 -32.53 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.812 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 73.11 110.844 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.468 -0.253 . . . . 74.32 112.468 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.43 29.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 74.4 111.202 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -71.35 -25.65 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.853 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.04 -43.44 53.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 64.42 110.914 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.38 -43.78 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.2 -30.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 52.22 111.186 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -79.85 -44.77 8.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.643 -0.789 . . . . 62.41 112.419 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 64.99 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 73.25 110.81 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.82 -28.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 60.13 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 7' ' ' GLY . 1.2 tt -57.75 -19.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 53.03 111.128 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.96 -25.2 16.16 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.751 -0.738 . . . . 65.1 112.511 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -159.6 -40.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 74.1 110.809 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.7 t -50.72 -40.46 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.3 111.193 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . . . -52.89 -30.82 36.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.21 111.023 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.42 -31.26 48.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.84 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -78.27 -42.05 32.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.53 -34.43 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 62.12 111.136 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.74 78.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 64.14 112.45 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 73.32 110.958 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.96 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 62.42 111.026 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -27.92 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.916 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.92 32.64 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.494 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -101.86 27.65 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 74.35 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.95 89.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 72.13 110.925 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -93.99 -33.85 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 52.03 110.858 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.78 -35.57 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.852 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -31.78 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -60.7 -36.65 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.896 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.6 -32.78 71.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.36 69.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 71.1 111.14 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.32 -23.2 35.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 65.32 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -69.37 -16.74 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.918 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.37 14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.17 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.46 -25.81 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.9 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -59.06 -26.82 64.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 72.34 111.0 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 54.4 72.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.22 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.82 -26.62 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.998 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -57.8 -29.99 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.971 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.784 179.877 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.194 0 N-CA-C 112.478 -0.249 . . . . 44.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -176.38 29.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 72.24 111.224 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.33 -26.31 62.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -43.5 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.91 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.2 -44.16 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.3 -53.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.047 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.92 -27.88 30.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 24.41 112.555 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.05 -34.51 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.387 . . . . 64.1 110.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -79.1 -53.7 4.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 63.34 112.422 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.44 -29.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.713 0.292 . . . . 73.54 111.083 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.38 53.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 34.13 112.594 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -77.42 -32.51 54.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 65.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.1 t -69.9 -40.35 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.53 111.085 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.51 -32.18 49.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 75.05 111.137 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -73.33 -29.09 62.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.989 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -78.48 -44.61 24.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.517 . . . . 70.14 110.89 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.4 p -67.3 -34.86 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.981 0.42 . . . . 53.35 111.271 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.57 -42.59 88.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.808 -0.711 . . . . 73.43 112.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -72.91 -32.93 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 74.03 110.919 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.98 -29.82 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 63.44 111.128 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.54 -28.15 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.975 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.43 88.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.499 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.542 ' C ' HD23 ' A' ' 24' ' ' LEU . 24.8 m-80 -140.02 35.35 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 70.44 110.832 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -173.83 67.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.913 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -77.37 -8.64 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -86.72 6.46 31.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 72.12 110.873 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -151.51 -41.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 60.44 111.13 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -63.36 -27.33 69.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.86 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.2 -26.33 64.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB1' HD22 ' A' ' 34' ' ' ASN . . . -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 51.31 111.022 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -56.29 -23.32 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.883 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -69.19 -15.31 63.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.891 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -135.13 6.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 74.55 111.136 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.546 HD22 ' HB1' ' A' ' 30' ' ' ALA . 7.9 m-20 -117.72 -58.84 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.45 110.904 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.31 15.02 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -29.81 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.4 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 53.42 61.82 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 44.13 110.91 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 55.59 61.64 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 65.1 110.868 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.841 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 112.361 -0.296 . . . . 72.03 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.27 -18.16 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 74.43 111.124 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.84 -28.99 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.08 -49.42 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -45.14 22.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 70.13 110.875 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.11 -28.56 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 72.31 111.095 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -83.17 -37.3 12.77 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.828 -0.701 . . . . 70.0 112.392 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.38 -26.18 58.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.407 . . . . 73.52 110.932 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -58.46 -26.73 59.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 73.4 112.407 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 7' ' ' GLY . 12.3 tt -52.12 -29.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 70.33 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.74 -51.7 51.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 32.31 112.462 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -77.38 -32.87 55.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 73.34 110.862 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 9' ' ' GLY . 90.0 t -69.42 -39.97 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 72.55 111.146 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.54 -32.16 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 34.43 111.096 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -73.44 -29.05 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.887 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -78.52 -44.46 24.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.35 -35.04 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 61.44 111.138 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.13 -43.9 94.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 64.11 112.544 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -72.85 -32.59 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 65.24 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.67 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 72.52 111.107 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 -27.55 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.1 158.54 19.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.927 -0.654 . . . . 55.41 112.561 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.16 -33.54 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 75.43 110.835 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mp 40.35 69.8 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.866 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -93.27 -50.17 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.788 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -33.89 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.18 -23.64 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 51.4 111.13 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -66.49 -38.17 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.852 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -78.35 -32.61 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 75.25 110.943 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.3 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 55.42 111.152 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -56.26 -23.15 34.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 55.12 110.879 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.42 -16.95 63.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 75.24 110.821 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.28 14.06 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 54.44 111.092 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -112.32 -25.62 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 52.35 110.962 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -26.38 68.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 74.34 110.858 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.22 54.51 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 65.34 110.813 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.61 30.3 6.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 70.23 110.912 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -91.12 -26.39 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.53 110.858 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.893 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.451 -0.26 . . . . 63.51 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 p -60.4 -18.03 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 72.33 111.027 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -50.92 -29.1 11.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.965 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.94 -49.4 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.886 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -78.5 -45.2 22.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 72.44 110.828 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.07 -28.58 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 75.04 111.081 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.06 -31.14 44.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 25.02 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -64.51 -27.76 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 73.22 110.895 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -72.56 -44.84 39.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.657 -0.782 . . . . 64.43 112.545 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.47 -29.14 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 70.41 111.112 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.92 49.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 62.43 112.496 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -77.59 -32.83 53.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 71.41 110.885 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' GLY . 95.4 t -69.11 -40.05 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.131 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.01 -32.61 47.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.115 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.71 -30.69 64.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -76.71 -44.67 32.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.1 p -67.53 -34.73 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.01 111.1 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.71 -43.65 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.31 112.468 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -72.73 -32.78 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 75.44 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.68 70.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.178 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -26.33 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.981 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.03 -166.44 36.7 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.686 -0.769 . . . . 63.02 112.44 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.18 27.16 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 70.53 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mp 40.47 72.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.814 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.08 -50.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.45 110.836 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.98 -33.52 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.858 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.26 -23.74 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.091 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -66.66 -38.07 86.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.33 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -30.3 47.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.37 69.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.37 -23.26 36.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 53.04 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -69.3 -16.32 63.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 70.12 110.88 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.09 12.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.153 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -112.42 -25.56 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.5 110.959 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -61.91 -26.26 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 53.22 110.78 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -151.95 88.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 73.51 110.865 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.39 35.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.861 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt 54.42 83.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 74.41 110.888 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 63.34 110.853 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.457 -0.257 . . . . 75.54 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -60.36 -17.95 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.1 111.213 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -50.97 -29.05 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.92 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.98 -49.45 76.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 74.52 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.48 -45.16 22.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.1 110.845 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -28.55 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.207 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 -29.77 48.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 53.52 112.425 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -71.63 -31.54 66.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 74.14 110.86 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -81.49 -53.14 3.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.808 -0.71 . . . . 71.41 112.554 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -52.89 -28.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 72.04 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.66 -51.66 52.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.13 112.536 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -77.45 -32.74 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.54 110.871 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' GLY . 92.4 t -69.51 -40.07 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 71.15 111.178 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 17' ' ' VAL . . . -53.64 -32.18 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 54.42 111.138 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -73.2 -29.22 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.957 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -78.53 -44.46 24.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 74.22 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 14' ' ' ALA . 9.3 p -67.4 -34.96 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.115 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.31 -42.75 89.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 52.35 112.505 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -32.83 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 72.03 110.993 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.26 -31.0 70.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.991 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.94 -27.66 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.67 44.4 97.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 54.14 112.455 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -141.93 34.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 74.12 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp 40.37 66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 53.22 110.863 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -90.73 -51.11 5.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.53 110.867 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.05 -33.7 72.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.951 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.18 -23.83 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 75.3 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -66.36 -38.11 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.89 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.95 -31.0 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 63.3 110.987 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -27.28 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.152 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -56.4 -23.13 36.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 73.55 110.845 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.39 -16.81 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.896 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 mp -137.37 14.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.156 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.53 -25.73 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -88.82 9.15 25.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.956 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 62.15 73.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -70.34 -27.87 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.944 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -131.76 58.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 73.4 110.88 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.869 179.898 . . . . . . . . 0 0 . 1 stop_ save_