data_2md1_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 2md1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.724 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.724 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.724 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 71.400000000000006 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.724 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.717 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.717 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.349999999999994 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 70.439999999999998 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 73.430000000000007 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 73.109999999999999 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.711 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.711 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 62.140000000000001 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.722 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 74.430000000000007 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.099999999999994 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.722 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 73.200000000000003 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.549999999999997 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.717 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.717 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 70.400000000000006 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 75.439999999999998 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.721 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 73.549999999999997 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.721 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.010000000000005 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.713 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.010000000000005 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.713 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.711 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 73.140000000000001 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.711 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.723 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 75.310000000000002 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 73.329999999999998 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.723 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.530000000000001 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.140000000000001 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.310000000000002 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.724 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.724 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -120.82 60.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.68 1.55 88.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.349999999999994 112.488 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -20.2 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 75.340000000000003 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -77.95 -18.64 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -101.84 55.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 110.861 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 p -119.75 32.8 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.724 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 71.400000000000006 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.724 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 61.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -120.84 51.73 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.52 32.54 6.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.49 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -26.6 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 75.530000000000001 110.905 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -116.53 55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -60.28 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.4 m -57.75 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.877 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.855 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.717 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.717 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.349999999999994 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 70.439999999999998 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 73.430000000000007 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 73.109999999999999 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.78 -33.44 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.48 43.97 1.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.120000000000005 112.474 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -26.47 55.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 75.239999999999995 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -90.67 48.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.49 69.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 74.150000000000006 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -61.42 -70.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.340000000000003 110.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 71.120000000000005 110.848 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.711 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.200000000000003 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.711 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 62.140000000000001 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -120.7 26.53 9.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.73 -27.89 73.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 71.239999999999995 112.489 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.75 -19.33 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -94.96 59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -92.91 50.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.150000000000006 110.896 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -81.2 -31.2 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.844 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 110.847 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.722 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 74.430000000000007 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.099999999999994 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.722 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 73.200000000000003 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.549999999999997 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.33 25.25 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.13 62.61 0.5 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 72.319999999999993 112.455 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.68 -20.18 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 73.329999999999998 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -115.53 39.16 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 31.1 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.340000000000003 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.9 p -119.9 28.85 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.717 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.717 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 70.400000000000006 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 75.439999999999998 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -120.61 29.53 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.57 -24.46 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 74.25 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -20.21 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 61.049999999999997 110.921 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.92 57.48 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.549999999999997 110.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -110.19 -30.57 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 110.936 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -32.54 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 71.5 110.833 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.219999999999999 110.828 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.721 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 73.549999999999997 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.721 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.010000000000005 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.72 35.56 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.49 -19.36 16.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 72.140000000000001 112.466 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -26.15 59.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 74.540000000000006 110.873 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -18.99 60.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 45.130000000000003 110.888 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -113.92 48.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -82.28 -47.84 11.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 54.399999999999999 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 75.340000000000003 110.855 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.713 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.010000000000005 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.713 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -120.97 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.57 42.86 2.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.453 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -19.63 10.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 71.239999999999995 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -91.85 -18.73 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.310000000000002 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -95.06 -39.04 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.896 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.82 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 110.888 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.711 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 73.140000000000001 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.711 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -120.37 -9.9 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.11 57.05 4.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 61.130000000000003 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.3 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 74.510000000000005 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -67.53 -18.81 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.901 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -117.64 52.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 t -54.0 -57.63 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.120000000000005 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 73.310000000000002 110.843 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.723 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 75.310000000000002 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 73.329999999999998 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.723 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.530000000000001 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.140000000000001 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.310000000000002 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -120.85 -33.14 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.77 55.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 73.420000000000002 112.514 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -36.96 44.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 73.420000000000002 110.86 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -106.11 -18.72 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -57.65 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.937 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -52.96 -30.33 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.340000000000003 110.838 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.530000000000001 110.868 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.745 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 54.439999999999998 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.745 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.714 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.735 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.735 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.712 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.240000000000002 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 72.030000000000001 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 61.32 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.711 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 54.549999999999997 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 52.43 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 64.099999999999994 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 63.350000000000001 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.736 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.708 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.209999999999994 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 60.219999999999999 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 65.120000000000005 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.310000000000002 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.530000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.741 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 60.350000000000001 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.741 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 62.310000000000002 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.719 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 55.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.7 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 64.540000000000006 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.150000000000006 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.733 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.704 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.742 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 64.109999999999999 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.742 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.409999999999997 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' HD13 ' A' ' 3' ' ' LEU . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -120.82 60.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.68 1.55 88.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.349999999999994 112.488 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -20.2 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 75.340000000000003 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -77.95 -18.64 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -101.84 55.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.019999999999996 110.861 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 p -119.75 32.8 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 63.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.745 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 54.439999999999998 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.745 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.714 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -120.84 51.73 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.52 32.54 6.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.49 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -26.6 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 75.530000000000001 110.905 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -116.53 55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -60.28 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.4 m -57.75 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.877 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.855 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.735 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.735 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.712 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.240000000000002 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 72.030000000000001 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 61.32 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.78 -33.44 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.48 43.97 1.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.120000000000005 112.474 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -26.47 55.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 73.239999999999995 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -90.67 48.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.49 69.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 71.540000000000006 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -61.42 -70.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.340000000000003 110.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 71.010000000000005 110.848 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.711 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 54.549999999999997 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 52.43 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -120.7 26.53 9.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.73 -27.89 73.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 61.399999999999999 112.489 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.75 -19.33 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -94.96 59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -92.91 50.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.150000000000006 110.896 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -81.2 -31.2 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.844 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 60.329999999999998 110.847 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 64.099999999999994 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 63.350000000000001 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.33 25.25 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.13 62.61 0.5 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 72.299999999999997 112.455 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.68 -20.18 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 72.420000000000002 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -115.53 39.16 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 31.1 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 55.450000000000003 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.9 p -119.9 28.85 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.736 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.708 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.209999999999994 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 60.219999999999999 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 65.120000000000005 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.310000000000002 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.530000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -120.61 29.53 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.57 -24.46 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 74.25 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -20.21 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 51.520000000000003 110.921 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.92 57.48 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -110.19 -30.57 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.936 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -32.54 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.833 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.219999999999999 110.828 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.741 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 60.350000000000001 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.741 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 62.310000000000002 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.719 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.72 35.56 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.49 -19.36 16.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 72.140000000000001 112.466 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -26.15 59.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 74.540000000000006 110.873 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -18.99 60.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 45.130000000000003 110.888 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -113.92 48.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -82.28 -47.84 11.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 54.399999999999999 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 54.32 110.855 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 55.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.7 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -120.97 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.57 42.86 2.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.453 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -19.63 10.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -91.85 -18.73 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.310000000000002 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -95.06 -39.04 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.896 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.82 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.219999999999999 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.349999999999994 110.888 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 64.540000000000006 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.150000000000006 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.733 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.704 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -120.37 -9.9 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.11 57.05 4.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 61.130000000000003 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.3 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 73.209999999999994 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -67.53 -18.81 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.901 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -117.64 52.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 t -54.0 -57.63 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 63.340000000000003 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 70.140000000000001 110.843 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.742 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 64.109999999999999 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.742 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.409999999999997 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' HD13 ' A' ' 3' ' ' LEU . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -120.85 -33.14 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.77 55.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 73.420000000000002 112.514 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -36.96 44.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 73.420000000000002 110.86 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -106.11 -18.72 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -57.65 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.937 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -52.96 -30.33 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 62.350000000000001 110.838 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.868 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.745 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 54.439999999999998 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.745 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.714 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.735 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.735 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.712 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.240000000000002 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 72.030000000000001 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 61.32 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.711 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 54.549999999999997 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 52.43 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 64.099999999999994 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 63.350000000000001 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.736 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.708 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.209999999999994 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 60.219999999999999 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 65.120000000000005 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.310000000000002 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.530000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.741 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 60.350000000000001 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.741 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 62.310000000000002 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.719 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 55.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.7 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 64.540000000000006 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.150000000000006 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.733 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.704 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.742 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 64.109999999999999 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.742 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.409999999999997 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' HD13 ' A' ' 3' ' ' LEU . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.952 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -25.16 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 74.209999999999994 110.893 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.56 -40.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 110.884 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.61 -29.36 27.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 110.929 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -75.72 -18.39 59.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.853 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -19.31 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.409999999999997 110.883 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.39 -12.88 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -111.32 -24.5 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.51 -27.68 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 12.78 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 110.873 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -120.82 60.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.68 1.55 88.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.349999999999994 112.488 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -20.2 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 75.340000000000003 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -77.95 -18.64 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -101.84 55.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.019999999999996 110.861 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 p -119.75 32.8 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 63.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.745 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 54.439999999999998 110.951 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -24.61 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 110.907 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.745 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.33 -39.73 59.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.911 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.714 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.28 -28.84 26.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.957 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -76.16 -19.22 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.85 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -21.66 15.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.099999999999994 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.21 19.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 111.117 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -108.22 -25.52 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.37 -27.2 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.892 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.76 14.91 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 74.540000000000006 110.952 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -120.84 51.73 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.52 32.54 6.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 72.019999999999996 112.49 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -26.6 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 75.530000000000001 110.905 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -116.53 55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -60.28 -63.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.4 m -57.75 -63.82 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.877 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.855 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.735 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -24.74 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.735 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.21 -39.79 59.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.909 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.712 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.07 -28.96 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.240000000000002 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.2 -19.19 58.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.901 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -21.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 72.030000000000001 110.901 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.22 -13.15 19.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 61.32 111.087 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -107.99 -26.06 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.01 -24.52 58.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 72.409999999999997 110.913 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 13.05 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.941 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.78 -33.44 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 73.209999999999994 110.89 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.48 43.97 1.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 72.120000000000005 112.474 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -26.47 55.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 73.239999999999995 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -90.67 48.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.49 69.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 71.540000000000006 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -61.42 -70.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.340000000000003 110.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 71.010000000000005 110.848 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -24.64 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.549999999999997 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.35 -39.64 59.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.89 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.711 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.23 -28.92 26.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 110.918 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -76.27 -19.09 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.874 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -21.55 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 54.549999999999997 110.901 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.99 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 52.43 111.14 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -108.4 -25.53 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 65.439999999999998 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.6 -27.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.862 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -86.84 14.46 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -120.7 26.53 9.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.450000000000003 110.879 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.73 -27.89 73.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 61.399999999999999 112.489 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.75 -19.33 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -94.96 59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -92.91 50.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.150000000000006 110.896 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -81.2 -31.2 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.844 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 60.329999999999998 110.847 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.744 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 64.099999999999994 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -25.31 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.83 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.744 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -74.49 -40.3 61.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 63.350000000000001 110.926 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.65 -29.19 27.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 64.540000000000006 110.894 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -75.98 -18.21 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -19.04 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.902 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.78 -12.7 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.075 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -111.74 -24.29 10.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.66 -24.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.340000000000003 110.91 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 9.69 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.92 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.33 25.25 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.13 62.61 0.5 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 72.299999999999997 112.455 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.68 -20.18 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 72.420000000000002 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -115.53 39.16 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 31.1 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 55.450000000000003 110.919 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.9 p -119.9 28.85 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.736 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 75.299999999999997 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.68 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.944 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.31 -39.7 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.881 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.708 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.19 -28.96 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.209999999999994 110.901 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -76.19 -19.11 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 60.219999999999999 110.851 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.5 -21.43 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.35 -12.99 19.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 111.111 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -108.58 -25.18 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 65.120000000000005 110.952 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.42 -28.96 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.310000000000002 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -87.2 14.81 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 74.530000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -120.61 29.53 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.858 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.57 -24.46 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 74.25 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -20.21 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 51.520000000000003 110.921 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.92 57.48 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -110.19 -30.57 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.936 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -32.54 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.833 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.219999999999999 110.828 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.741 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 60.350000000000001 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.44 -24.56 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.741 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.38 -39.49 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 62.310000000000002 110.93 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.719 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.35 -28.99 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.932 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.37 -18.89 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.873 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.51 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 110.873 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.87 -12.81 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 111.167 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -107.2 -24.88 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.0 -24.06 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 16.92 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 110.888 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.72 35.56 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.886 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.49 -19.36 16.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 72.140000000000001 112.466 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -26.15 59.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 74.540000000000006 110.873 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -18.99 60.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 45.130000000000003 110.888 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -113.92 48.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -82.28 -47.84 11.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 54.399999999999999 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 54.32 110.855 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.732 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 73.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -25.1 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 55.409999999999997 110.895 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.732 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -74.59 -40.24 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.209999999999994 110.957 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.7 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -83.63 -29.6 27.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.340000000000003 110.904 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 23.1 m -75.69 -18.05 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -18.26 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.71 -11.96 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.049999999999997 111.095 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -111.47 -22.24 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.895 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 5' ' ' SER . 7.6 pt-20 -54.93 -23.47 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.878 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 16.41 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.87 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -120.97 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 75.140000000000001 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.57 42.86 2.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.453 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -19.63 10.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -91.85 -18.73 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.310000000000002 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -95.06 -39.04 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.896 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.82 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.219999999999999 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.349999999999994 110.888 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 64.540000000000006 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -24.65 5.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.150000000000006 110.92 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.733 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.3 OUTLIER -75.34 -39.52 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.704 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -84.3 -29.03 26.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.886 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -76.48 -18.86 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.829 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -21.55 15.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.957 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 -12.97 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.93 -25.25 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.92 -22.98 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.861 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.9 3.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.895 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -120.37 -9.9 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.11 57.05 4.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 61.130000000000003 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.3 61.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 73.209999999999994 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -67.53 -18.81 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.901 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -117.64 52.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 t -54.0 -57.63 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 63.340000000000003 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 70.140000000000001 110.843 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.742 ' CZ3' ' HB3' ' A' ' 3' ' ' LEU . 2.2 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.844 0.354 . . . . 73.230000000000004 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -26.35 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 64.109999999999999 110.893 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.742 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -73.14 -41.58 63.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.889 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER -81.94 -30.05 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.872 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -73.07 -20.58 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.409999999999997 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' HD13 ' A' ' 3' ' ' LEU . 4.1 ptmt -97.32 -23.74 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 70.019999999999996 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.44 -13.02 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 111.066 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -107.38 -24.89 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.888 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -57.2 -28.31 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -85.91 13.2 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -120.85 -33.14 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.88 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.77 55.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 73.420000000000002 112.514 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -36.96 44.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 73.420000000000002 110.86 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -106.11 -18.72 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -57.65 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.937 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -52.96 -30.33 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 62.350000000000001 110.838 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.868 -179.939 . . . . . . . . 1 1 . 1 stop_ save_