data_2k9y_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 2k9y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.351 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.913 0.387 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.917 0.389 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.692 0.282 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 117.358 -1.306 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.055 0.455 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.16 127.94 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -139.93 142.22 36.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.4 p -147.62 117.42 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.46 97.93 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 94.4 p -58.93 154.51 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.86 101.15 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -127.23 153.51 19.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 75.1 m -125.28 -42.43 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -161.72 -116.03 0.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.03 -22.97 41.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.73 -19.59 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.42 -38.74 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.49 -73.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.74 -56.97 15.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.28 -14.33 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.99 -48.04 17.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -94.8 -36.33 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.65 -18.04 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.88 -30.36 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -134.53 55.69 1.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -26.64 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -126.61 24.12 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 55.99 -178.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -73.85 126.6 30.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -138.24 -172.47 3.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p 46.19 81.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 135.99 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 51.4 p -72.33 153.5 92.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -15.61 36.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.06 111.22 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -125.66 133.97 8.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 44.2 m -96.45 49.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.822 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -163.53 36.1 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -66.12 -25.75 67.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.37 -20.6 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.3 -40.26 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.68 -73.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.67 -57.66 11.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.74 -15.03 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.04 -47.75 23.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -96.06 -25.01 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.34 -7.35 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.51 -23.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -143.14 29.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 127.46 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 54.98 23.39 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 63.25 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.61 139.39 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.42 164.87 2.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.3 p -155.41 -42.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.77 159.11 20.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 9.1 m -69.78 158.01 88.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.63 4.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.646 2.23 . . . . 0.0 112.414 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -137.02 102.88 4.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -84.35 -116.58 0.71 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.556 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 83.3 p -152.36 -46.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -140.68 -117.68 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -79.03 -19.17 52.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.49 -18.87 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.7 -36.17 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.05 -75.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.0 -60.45 8.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 53.7 t -50.29 -41.3 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -51.53 -58.07 10.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.553 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -77.08 -15.41 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -61.57 -17.72 56.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 19.9 tt -81.77 -21.88 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -89.67 -15.64 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.7 -26.31 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 52.74 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 137.3 32.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 38.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -129.72 132.3 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.771 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.42 -171.37 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 76.5 p -133.69 -42.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.87 -175.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 70.3 m -130.32 154.03 81.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.05 4.02 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.41 107.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 86.64 143.01 7.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.586 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 21.0 m -91.48 -28.95 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 175.34 37.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -63.04 -30.32 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.15 -20.36 23.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.23 -39.63 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.86 -72.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -57.8 12.06 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.99 -14.66 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.92 -48.48 20.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -95.1 -26.85 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -72.06 -9.12 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 9.1 tt -97.58 -21.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -88.83 -20.37 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -65.01 -25.06 67.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.14 25.68 11.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 55.29 -175.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.81 144.99 43.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.93 -179.37 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.1 p -155.91 25.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.3 mp -127.05 52.81 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 94.6 p -133.57 85.67 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 161.38 46.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.602 2.201 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.5 106.0 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 147.17 98.5 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 5.1 p -159.22 -70.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.5 -121.35 1.86 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.99 -22.75 21.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.45 -19.46 59.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.52 -36.59 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.24 -74.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.51 19.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.3 t -63.0 -14.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -74.88 -47.43 14.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -95.0 -39.33 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.58 -20.68 34.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -85.55 -29.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -117.61 32.98 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -21.98 22.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -23.91 14.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 62.0 165.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -112.56 115.63 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -128.12 -171.38 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.3 p 46.61 84.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 107.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' B' ' 529' ' ' PRO . 15.4 m -109.24 154.5 42.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 528' ' ' SER . 54.1 Cg_endo -69.69 116.86 4.75 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.745 2.296 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.21 104.54 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -63.45 -169.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 4.9 m -83.8 -31.85 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 52.56 52.63 36.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -64.06 -26.36 68.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.83 -20.01 23.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.29 -36.47 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.61 -74.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.83 -59.36 8.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.51 -17.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.802 0.334 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -70.1 -51.48 22.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -91.85 -24.2 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -73.83 -7.59 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 16.4 tt -99.34 -16.91 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -109.26 -24.76 10.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -85.02 -37.3 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 54.1 77.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -129.7 134.0 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.8 136.36 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.5 p -146.73 74.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.21 147.5 50.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.2 m -123.22 155.12 65.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 135.07 29.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.62 2.214 . . . . 0.0 112.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -140.65 -165.72 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 117.29 143.91 7.65 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 93.7 p -138.35 -47.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.94 -113.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -89.44 -18.33 26.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.93 -20.08 62.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.33 -40.42 59.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.78 -72.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.7 -57.67 11.86 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.42 -14.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.02 -47.0 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -96.93 -26.39 15.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -72.67 -8.17 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 tt -88.26 -25.06 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -133.69 37.29 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -82.91 -20.31 35.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 -29.58 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 63.18 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -112.78 136.93 51.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -145.62 147.72 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 13.0 p -140.87 70.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.38 139.55 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 58.3 m -64.07 155.61 77.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -40.61 5.1 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.33 -165.91 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.5 129.16 9.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 70.6 p -102.91 61.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 62.66 46.5 93.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.73 -26.66 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.97 -20.58 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.76 -30.55 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.22 -76.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.63 -56.58 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 44.0 t -56.09 -39.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -61.49 -29.58 72.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -92.64 -28.25 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.77 -14.13 62.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 3.8 tt -96.57 -22.32 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -97.1 -24.86 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.32 -29.23 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.16 27.25 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 57.22 -174.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -112.58 129.96 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.96 175.46 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.3 p -151.87 80.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.89 116.9 32.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 35.6 m -71.21 154.61 93.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.617 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -35.35 12.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.65 105.18 3.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 161.46 -167.23 36.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.417 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 13.7 p -117.78 -33.6 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 69.45 88.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.69 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.88 -19.61 21.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.55 -29.22 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.92 -75.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.2 49.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.48 -42.65 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.88 -20.35 70.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -94.53 -28.78 15.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.18 -13.99 62.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 20.5 tt -99.33 -22.36 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -97.02 -21.25 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.791 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 136.87 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 56.49 24.95 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 52.9 -171.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -56.81 132.66 52.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -142.91 135.03 27.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 24.8 p -148.53 94.6 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 56.72 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.4 m -124.57 157.05 66.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.7 0.762 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.8 13.96 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.68 -163.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -54.1 165.85 2.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 14.9 m -130.98 78.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -102.9 48.74 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -81.69 -25.26 35.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.76 -19.18 55.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -42.35 60.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.11 -71.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.12 -63.54 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.423 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.15 -22.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.392 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.23 -59.28 8.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -85.07 -22.09 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -73.99 -4.45 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -119.93 -7.93 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -131.88 14.56 4.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -29.67 10.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -137.18 -50.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -157.86 179.39 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 123.17 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -136.2 138.4 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 p -151.03 117.61 5.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.75 175.89 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 49.9 m -81.6 152.24 69.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.76 0.791 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 134.37 27.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.95 108.28 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 84.59 139.33 4.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.7 m -138.87 87.89 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -112.17 -122.01 4.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -88.6 -21.96 23.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -76.59 -19.42 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.65 -37.63 51.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -55.18 -67.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.57 -54.18 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.5 t -52.49 -22.53 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.213 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -78.27 -67.79 1.58 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.21 -42.81 99.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -58.52 -19.83 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 10.3 mm -100.18 -29.87 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -85.78 -11.96 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -72.06 -18.15 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 39.4 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -31.52 15.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.37 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -121.99 132.24 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.55 131.89 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 12.2 p -150.07 72.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.41 120.2 38.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 18.0 p -97.33 156.34 36.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.82 171.77 13.93 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -135.39 103.13 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 67.55 169.35 4.36 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 61.6 p -84.0 -25.19 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 84.42 84.99 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -84.16 -30.74 25.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.1 -19.8 21.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -37.47 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.34 -73.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.14 -63.69 4.94 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 42.9 t -49.85 -39.3 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -51.41 -58.82 9.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -79.16 -15.34 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -58.58 -19.61 39.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 19.6 tt -80.89 -19.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -99.05 -6.39 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -50.47 -30.46 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.71 -51.48 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -156.75 119.57 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 4.9 pttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -114.02 137.8 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -170.93 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.6 p -130.63 -73.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 25.1 mt 54.22 82.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 12.4 p -52.75 157.08 2.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 166.16 28.43 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.703 2.268 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.88 -163.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 127.95 163.25 11.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.8 p -163.13 -40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -133.12 -121.45 2.22 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -90.14 -13.97 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.53 -19.13 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.31 -33.05 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.76 -69.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.27 -53.61 35.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.7 -23.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -79.59 -68.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.58 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.2 -47.71 84.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.43 -27.13 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 14.2 mm -94.09 -30.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -67.66 -18.51 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -60.91 -27.57 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -131.68 57.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 129.83 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.29 144.42 42.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.11 173.72 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p -153.07 25.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 6.3 mt -101.47 158.54 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.7 p -102.39 156.34 35.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 -19.48 35.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -162.74 117.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -96.62 154.17 20.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.568 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 18.9 m -125.87 66.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.387 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 76.97 75.47 0.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -72.38 -26.41 61.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.35 -20.14 21.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -40.04 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.21 -72.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.24 -59.83 8.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -17.78 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -69.41 -52.92 19.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -90.81 -24.47 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.41 -7.85 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 7.5 tt -98.33 -19.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.191 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -96.73 -11.12 25.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -64.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.92 -21.82 63.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 63.36 77.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.57 142.55 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -136.96 -171.5 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 44.3 p -132.43 169.85 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.67 -176.47 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 8.0 p -129.17 85.71 58.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.708 0.766 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 168.46 21.59 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -165.57 113.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 171.47 -134.81 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.6 m -53.35 -46.23 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 102.67 -37.37 3.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -62.63 -25.9 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.64 -19.55 38.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.88 -32.88 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.29 -71.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -54.96 33.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.3 -33.64 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.33 78.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -89.43 -32.69 17.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.65 -16.67 58.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -98.16 -28.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -131.17 54.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -25.52 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.59 25.69 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 4.6 mpp_? 53.53 40.6 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -107.79 139.9 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -130.06 -171.39 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 23.7 p -139.44 145.59 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.35 156.1 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 4.4 p -55.12 157.8 5.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 166.38 27.83 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -140.37 104.0 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.9 85.78 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 99.0 p -148.52 28.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -161.07 91.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.421 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -58.78 -37.59 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 110.805 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.2 -19.58 22.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.36 -38.11 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.11 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.62 25.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.05 -33.01 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -69.45 -27.2 73.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.3 -24.54 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -80.39 10.44 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.07 -12.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -128.77 22.04 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -49.78 100.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.96 -62.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 173.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.979 0.419 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.27 137.91 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.02 175.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 7.2 p -154.27 143.35 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.05 23.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.4 m -98.91 156.3 35.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.721 0.772 . . . . 0.0 110.796 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.36 56.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.238 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -148.32 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -140.65 38.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 18.6 p -155.56 94.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 147.45 118.76 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.33 -35.89 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.42 -19.18 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.29 -39.09 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.93 -72.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.15 -57.96 11.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.9 -14.96 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.57 -47.83 25.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -96.2 -25.04 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.57 -7.96 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -86.96 -23.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -138.89 28.84 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -16.04 60.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.18 50.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.69 128.07 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -137.38 127.13 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -143.08 -174.06 4.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 4.9 p -134.35 171.34 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.22 49.11 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 8.6 p -138.83 157.1 72.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 80.7 0.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.755 2.304 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.31 104.49 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -101.71 116.33 5.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 66.3 m -117.84 -66.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 153.29 94.99 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.21 -26.1 64.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.41 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 -19.29 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.09 -29.75 22.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.11 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -55.44 30.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.422 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 99.0 t -53.17 -37.51 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -58.66 -50.28 68.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.07 -29.17 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -75.68 46.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -129.51 -18.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.77 40.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -32.66 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.55 55.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -88.39 143.16 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.45 173.12 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 4.4 p -155.44 164.65 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 118.51 36.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 24.1 m -113.9 155.95 44.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.615 0.721 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 140.72 43.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -149.83 103.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 165.33 45.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 64.0 p -93.45 -62.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.77 -121.88 2.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -90.13 -21.63 22.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.07 -18.98 61.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.37 -32.73 26.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.25 -75.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.53 -49.53 45.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.73 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -63.92 -21.19 65.29 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -91.63 -30.78 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -79.54 2.88 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 tt -97.94 -11.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -124.28 -33.79 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.26 131.75 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 51.46 42.84 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 134.6 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -131.64 131.69 43.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -175.42 179.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.2 p -155.6 169.68 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.58 25.34 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 74.1 m -128.68 155.71 78.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 91.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.261 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -139.61 -161.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 118.24 107.85 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 26.6 p -112.0 36.11 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 63.53 79.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -60.37 -28.24 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.92 -20.73 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.96 -34.55 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.89 -77.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -55.02 27.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.425 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 62.2 t -56.68 -38.22 56.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -65.55 -25.44 71.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -91.12 -29.5 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -67.67 -19.39 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 4.4 tt -91.79 -20.64 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.46 -24.01 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -64.33 -25.04 67.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -130.02 52.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.16 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -132.66 140.62 48.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.798 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -131.95 135.09 46.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 7.3 p -152.98 164.45 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.6 mt 54.84 59.93 3.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 50.2 m -120.42 154.79 56.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.679 0.752 . . . . 0.0 110.786 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 113.99 3.58 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.625 2.216 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -142.07 103.55 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 163.58 40.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.565 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 37.5 m -80.32 -60.05 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -152.12 -119.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.47 -22.96 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.28 -19.45 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.08 -27.38 32.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -70.88 -75.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.13 -53.3 41.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.63 -42.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -63.76 -23.45 67.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.386 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.76 -30.13 15.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -71.43 -10.1 59.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.7 tt -95.48 -22.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -84.09 -23.51 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.22 -47.18 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -31.26 26.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 58.94 64.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.42 140.71 52.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -131.87 -172.43 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 9.0 p 51.35 -170.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.55 140.95 45.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 32.5 p -109.15 155.54 40.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 122.09 8.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -136.7 99.93 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 79.94 155.42 10.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 55.8 m -142.95 -45.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 109.54 92.08 2.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -81.68 62.27 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.15 -20.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.4 -41.56 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.3 -72.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.75 -65.93 3.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.3 -26.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.052 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -62.99 -65.94 2.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -77.18 -19.93 56.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.87 -6.26 46.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.33 -18.89 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.196 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -105.94 -154.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.37 -72.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -99.27 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -32.95 10.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.36 140.07 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -127.47 -170.97 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 4.5 p -134.31 107.73 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.56 82.12 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 13.6 m -120.72 85.56 39.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.719 0.771 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.68 11.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.286 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.79 101.74 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -59.08 178.36 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.553 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 70.5 m 51.94 78.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -172.8 99.49 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -53.26 -36.14 60.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.47 -19.21 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.23 -29.65 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.3 -75.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.04 41.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.382 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.95 -33.62 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -69.32 -25.05 75.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -92.76 -27.93 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.94 -13.29 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 15.1 tt -99.34 -21.94 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -98.09 -22.45 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 133.07 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.83 31.32 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.03 -161.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.77 143.39 51.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -165.92 -179.17 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.0 p -154.68 176.46 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 59.14 -176.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 73.4 m -56.23 155.53 12.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.692 0.758 . . . . 0.0 110.799 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.92 37.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 104.32 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 167.08 47.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 71.1 m -111.34 33.01 4.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 77.65 22.98 68.4 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -70.74 -27.0 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.74 -19.19 23.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.63 -37.7 51.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.82 -75.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.17 5.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.84 -39.41 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -52.27 -57.12 14.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.73 -16.72 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.4 -18.75 52.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 1.4 tt -80.81 -22.45 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -87.32 -16.96 33.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -51.49 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -110.6 35.0 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.94 -165.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 28.1 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -112.07 139.04 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -137.18 139.67 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 43.3 p -149.68 120.44 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 122.77 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' SER . . . . . 0.422 ' HB2' ' HD2' ' A' ' 529' ' ' PRO . 54.6 p -54.77 155.33 8.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 528' ' ' SER . 54.5 Cg_endo -69.69 91.75 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -153.59 106.38 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -117.59 -87.0 1.2 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.9 p -173.4 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.884 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.48 -119.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -88.41 -16.36 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.63 -20.59 61.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.24 -38.31 51.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.66 -72.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.52 -57.87 12.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.489 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.83 -14.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.02 -48.94 18.29 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.44 -35.48 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.06 -18.21 56.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.1 tt -89.7 -29.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -107.73 46.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -90.54 -25.67 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -106.43 -22.59 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 39.54 39.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 135.83 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.89 164.22 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.9 p -152.58 62.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 4.5 mt 55.66 44.36 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 23.1 p -129.2 154.65 80.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -16.03 37.51 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.82 105.06 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.55 18.97 34.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 11.8 m -142.31 65.16 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.389 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 164.33 46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -81.74 -25.77 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.69 -20.57 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.69 -35.69 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.59 -75.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.32 -59.51 9.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.23 -27.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.08 -23.68 70.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -92.48 -23.47 19.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.42 -2.95 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 12.9 tt -90.89 -18.3 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -137.73 9.06 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.771 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 103.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 73.13 -61.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.13 155.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mttp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.43 117.82 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -130.83 -172.31 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 73.3 p -142.36 118.73 10.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.63 161.87 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 31.5 p -97.84 156.1 36.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.17 56.57 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.407 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.55 104.06 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.05 134.09 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.9 m -114.47 -45.19 3.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -159.01 -116.87 0.47 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.532 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -81.5 -22.97 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.13 -19.9 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.38 -29.73 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.29 -74.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.5 50.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.79 -35.66 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.44 -19.56 79.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -95.62 -29.56 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.22 -12.4 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.8 tt -103.5 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -133.4 45.4 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -149.9 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.08 136.16 15.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.44 114.02 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.12 178.64 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.1 p -155.46 138.95 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 21.3 mt -81.73 -179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 7.7 p -120.03 85.71 35.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -179.8 3.17 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -140.99 -163.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -98.47 103.6 2.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.419 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 86.1 p -157.31 46.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 88.04 47.26 4.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.554 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.08 -26.22 56.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.18 -20.5 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.14 -39.44 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.0 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.06 -57.87 11.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.83 -15.02 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.48 -48.57 23.11 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -95.2 -26.35 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -72.62 -8.56 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.14 -20.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -98.95 -25.29 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 135.54 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 28.8 mmt-85 56.23 27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.09 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -91.82 133.47 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -141.6 -170.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 82.1 p -146.09 41.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mt 58.32 -175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 7.9 p -76.7 156.78 82.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.35 14.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.389 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.73 100.11 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -72.71 -130.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 88.6 p -134.61 -51.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -141.71 -119.52 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -66.17 -25.5 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.36 -20.21 59.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.46 -39.88 58.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.74 -72.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.22 -58.51 10.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.418 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.69 -16.29 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.9 0.381 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -71.12 -50.58 21.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -92.79 -27.76 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.6 -7.63 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.7 tt -104.11 -22.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -141.86 45.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -25.16 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -150.84 49.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 136.28 18.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -122.71 127.14 48.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -138.1 137.33 37.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.5 p -151.26 96.54 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.44 33.12 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 13.9 m -132.69 153.78 81.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 144.75 54.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.585 2.19 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.17 -163.34 1.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 64.01 -118.19 12.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 69.5 m -131.07 -58.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -149.95 -119.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -89.88 -14.23 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -76.35 -19.92 57.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.81 -40.67 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.05 -74.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -64.37 4.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.4 t -49.74 -38.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -52.04 -54.58 25.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.408 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -83.87 -16.24 45.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.78 -14.56 61.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 2.0 tt -81.66 -30.57 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -128.01 41.57 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.91 127.35 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 56.33 24.17 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.85 -164.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 115.723 -2.084 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -86.11 158.18 19.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 121.629 2.013 . . . . 0.0 112.285 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -66.16 150.04 49.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.356 2.662 . . . . 0.0 106.043 -175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.8 p -100.1 117.16 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.335 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 33.2 tp -113.47 103.34 11.18 Favored 'General case' 0 C--N 1.326 -0.414 1 C-N-CA 132.228 4.211 . . . . 0.0 107.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . 0.257 9.9 t -74.79 133.89 75.88 Favored Pre-proline 0 N--CA 1.446 -0.649 0 O-C-N 127.935 3.272 . . . . 0.0 104.79 166.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -67.7 167.76 20.23 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 N-CA-C 115.292 1.228 . . . . 0.0 115.292 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.52 130.34 41.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 128.353 3.93 . . . . 0.0 108.925 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.38 96.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 97.4 p -92.82 -22.86 19.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 111.93 -12.34 27.05 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 113.006 -1.906 . . . . 0.0 113.99 -172.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -46.72 -31.99 3.3 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.836 3.254 . . . . 0.0 116.663 175.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.29 -7.98 28.06 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 117.204 -3.435 . . . . 0.0 110.677 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt -51.54 -52.82 43.95 Favored 'General case' 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.6 80.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 128.186 2.594 . . . . 0.0 114.417 168.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.73 -66.79 2.3 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 127.33 2.395 . . . . 0.0 112.597 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 1.2 p -52.87 -25.39 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 111.89 -2.155 . . . . 0.0 113.71 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.418 ' HA2' HG22 ' A' ' 558' ' ' ILE . . . -90.58 -19.15 45.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-O 113.589 -3.895 . . . . 0.0 110.66 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -77.24 -36.18 54.77 Favored 'General case' 0 N--CA 1.445 -0.708 1 CA-C-N 125.411 4.606 . . . . 0.0 112.875 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -79.0 9.19 4.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 173.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.418 HG22 ' HA2' ' A' ' 555' ' ' GLY 0.462 16.0 tt -130.38 -1.83 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 1 C-N-CA 132.466 4.306 . . . . 0.0 112.178 175.54 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -116.76 59.82 0.75 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 130.288 3.435 . . . . 0.0 108.702 170.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . 0.25 10.4 mtm180 -130.62 177.84 7.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.421 1.888 . . . . 0.0 106.058 161.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -92.5 -37.32 12.58 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 128.384 2.673 . . . . 0.0 109.055 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -98.6 75.38 2.17 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 169.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.8 -3.062 . . . . 0.0 114.598 -179.477 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -155.11 175.93 13.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . 0.302 4.6 pp0? -142.48 -179.59 6.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.859 0.863 . . . . 0.0 112.578 170.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 81.7 p -141.3 -3.73 1.18 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.88 1.672 . . . . 0.0 112.305 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.1 -39.6 82.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.376 1.87 . . . . 0.0 109.68 -172.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 12.7 p -140.18 126.74 12.12 Favored Pre-proline 0 N--CA 1.445 -0.707 0 C-N-CA 126.515 1.926 . . . . 0.0 113.557 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -69.39 -174.46 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 CA-C-O 126.894 2.789 . . . . 0.0 114.907 -162.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -81.83 105.14 12.72 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 116.919 -3.613 . . . . 0.0 110.061 172.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -143.13 -164.56 10.28 Favored Glycine 0 C--N 1.344 1.027 1 O-C-N 129.815 4.447 . . . . 0.0 107.55 163.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . 0.551 55.5 p -139.51 22.0 2.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -175.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 129.82 172.93 13.25 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 121.32 1.873 . . . . 0.0 109.176 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -116.24 12.53 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 129.246 3.018 . . . . 0.0 116.024 -165.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.2 -6.61 16.3 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.894 1.678 . . . . 0.0 114.295 170.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt -56.16 -30.59 62.42 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.17 64.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 126.934 2.093 . . . . 0.0 111.025 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -72.99 -52.69 8.7 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 129.527 3.441 . . . . 0.0 115.234 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.88 -37.9 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 113.805 -2.998 . . . . 0.0 107.768 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -46.08 -56.75 6.67 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 127.125 2.766 . . . . 0.0 116.086 170.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -74.83 -26.03 59.42 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.206 1.803 . . . . 0.0 111.868 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -27.82 55.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . 0.307 38.7 mt -48.82 -50.56 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 131.562 3.945 . . . . 0.0 108.5 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -154.1 97.81 2.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.995 -1.478 . . . . 0.0 108.84 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -79.88 -5.57 55.77 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 122.317 2.326 . . . . 0.0 111.857 -166.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . 0.571 26.2 mtm180 95.39 -47.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 2 C-N-CA 133.933 4.893 . . . . 0.0 108.479 -170.578 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . 0.334 65.4 mtp85 -83.19 135.8 34.65 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 111.023 -2.808 . . . . 0.0 107.731 172.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . 0.285 19.2 pttm . . . . . 0 C--O 1.246 0.89 0 C-N-CA 127.682 2.393 . . . . 0.0 111.912 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.579 0.704 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -80.72 106.51 12.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.644 3.177 . . . . 0.0 114.075 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -109.74 148.0 32.19 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . 0.338 44.2 p -139.97 68.11 1.37 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 130.561 3.544 . . . . 0.0 104.023 174.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.7 137.53 32.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 130.011 3.324 . . . . 0.0 109.383 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.1 m -77.75 160.56 74.16 Favored Pre-proline 0 N--CA 1.449 -0.512 0 C-N-CA 127.92 2.488 . . . . 0.0 108.881 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -82.57 166.54 15.56 Favored 'Trans proline' 0 N--CA 1.449 -1.112 1 C-N-CA 125.709 4.273 . . . . 0.0 110.607 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.8 168.14 15.73 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 119.286 -2.134 . . . . 0.0 106.443 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 133.38 161.51 9.8 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 106.571 -2.612 . . . . 0.0 106.571 164.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 27.6 t -140.66 122.98 15.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.378 1.471 . . . . 0.0 111.657 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -114.24 140.18 16.15 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 127.375 2.417 . . . . 0.0 111.309 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -99.31 -18.39 17.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 115.779 -2.058 . . . . 0.0 112.669 161.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.37 3.59 5.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.394 2.278 . . . . 0.0 113.385 160.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.18 -27.64 67.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.0 -30.06 70.54 Favored 'General case' 0 CA--C 1.519 -0.247 0 O-C-N 118.623 -2.548 . . . . 0.0 115.819 166.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -90.0 -29.16 15.98 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.528 1.768 . . . . 0.0 111.88 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.57 -18.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 O-C-N 119.106 -2.408 . . . . 0.0 108.658 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -94.68 -1.46 63.74 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 115.199 -3.0 . . . . 0.0 106.959 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -109.22 -53.94 2.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.99 1.895 . . . . 0.0 107.406 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.66 35.02 0.12 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 43.0 pt -122.6 -22.81 2.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 126.885 2.074 . . . . 0.0 114.999 162.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -148.86 95.85 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 120.418 -1.426 . . . . 0.0 107.268 -170.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -126.92 118.33 24.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 110.083 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -86.93 -24.16 24.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 127.477 2.311 . . . . 0.0 112.767 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -84.48 151.71 24.44 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.756 150.471 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.49 5.66 0.46 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 112.725 -3.512 . . . . 0.0 112.202 168.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -113.55 162.79 15.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 125.904 3.956 . . . . 0.0 109.618 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.0 p -135.06 151.7 51.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.09 52.97 0.88 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.531 3.132 . . . . 0.0 106.098 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 29.7 p -73.59 146.35 85.87 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.73 124.32 8.08 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 123.646 2.897 . . . . 0.0 108.758 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -90.92 127.18 36.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 127.821 2.449 . . . . 0.0 111.11 154.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -151.18 114.74 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 116.062 -2.521 . . . . 0.0 109.18 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 94.7 p -148.72 -1.81 0.5 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 127.194 3.378 . . . . 0.0 109.845 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -125.55 37.49 2.5 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.482 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.08 -28.41 62.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 117.085 -1.436 . . . . 0.0 113.616 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.37 -28.34 9.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.04 -27.43 43.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.67 -33.6 76.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 114.912 -2.471 . . . . 0.0 113.629 168.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -76.63 -49.73 7.76 Favored Glycine 0 CA--C 1.524 0.612 1 C-N-CA 131.763 4.506 . . . . 0.0 110.487 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.77 -39.89 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.212 -2.346 . . . . 0.0 106.556 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.6 -32.94 49.04 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 118.606 -2.559 . . . . 0.0 107.452 -168.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -72.14 -45.77 59.2 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.658 1.229 . . . . 0.0 109.77 171.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . 0.268 23.3 t80 -61.31 -46.94 88.2 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 130.436 3.494 . . . . 0.0 114.375 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.74 -39.75 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 117.997 -1.481 . . . . 0.0 114.616 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' HIS . . . . . 0.474 ' C ' ' H ' ' B' ' 561' ' ' ARG . 34.7 t-80 -60.63 -47.96 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 128.855 2.862 . . . . 0.0 111.569 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.77 24.97 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.83 1.652 . . . . 0.0 113.905 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' ARG . . . . . 0.474 ' H ' ' C ' ' B' ' 559' ' ' HIS . 35.0 mtp180 -142.99 8.33 1.66 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 131.666 3.987 . . . . 0.0 107.398 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.06 1.37 48.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 118.76 2.874 . . . . 0.0 118.76 171.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.3 pttt . . . . . 0 C--O 1.249 1.064 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -174.742 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 541' ' ' VAL . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' B' ' 546' ' ' VAL . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.675 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 545' ' ' VAL . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' B' ' 546' ' ' VAL . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.662 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 545' ' ' VAL . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' B' ' 546' ' ' VAL . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.656 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 545' ' ' VAL . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' B' ' 546' ' ' VAL . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 545' ' ' VAL . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.657 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.627 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 545' ' ' VAL . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' B' ' 546' ' ' VAL . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 546' ' ' VAL . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 541' ' ' VAL . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' B' ' 546' ' ' VAL . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 546' ' ' VAL . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.351 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' B' ' 546' ' ' VAL . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.416 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' B' ' 546' ' ' VAL . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.913 0.387 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' B' ' 546' ' ' VAL . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.658 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' B' ' 546' ' ' VAL . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.447 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' A' ' 546' ' ' VAL . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 550' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 546' ' ' VAL . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 545' ' ' VAL . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 546' ' ' VAL . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.665 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 545' ' ' VAL . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' B' ' 546' ' ' VAL . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' A' ' 546' ' ' VAL . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.646 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.633 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 545' ' ' VAL . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' B' ' 546' ' ' VAL . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.917 0.389 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.44 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' A' ' 546' ' ' VAL . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.659 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 546' ' ' VAL . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.692 0.282 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 541' ' ' VAL . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' B' ' 546' ' ' VAL . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.437 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 541' ' ' VAL . . . . . 0.729 ' O ' HG23 ' B' ' 545' ' ' VAL . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 541' ' ' VAL . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 546' ' ' VAL . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 548' ' ' LEU . . . . . 0.649 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.636 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 537' ' ' VAL . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 117.358 -1.306 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 537' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 537' ' ' VAL . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.411 ' O ' HD13 ' B' ' 547' ' ' LEU . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 542' ' ' ALA . . . . . 0.503 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 542' ' ' ALA . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.055 0.455 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.16 127.94 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -139.93 142.22 36.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.4 p -147.62 117.42 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.46 97.93 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' SER . . . . . 0.401 ' HB2' ' HD2' ' A' ' 529' ' ' PRO . 94.4 p -58.93 154.51 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 528' ' ' SER . 54.4 Cg_endo -69.82 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.86 101.15 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -127.23 153.51 19.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 75.1 m -125.28 -42.43 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -161.72 -116.03 0.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.03 -22.97 41.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.73 -19.59 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 541' ' ' VAL . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' B' ' 546' ' ' VAL . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.42 -38.74 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.49 -73.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.74 -56.97 15.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.28 -14.33 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.99 -48.04 17.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -94.8 -36.33 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.65 -18.04 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 555' ' ' GLY . 0.6 OUTLIER -89.88 -30.36 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -134.53 55.69 1.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -26.64 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -126.61 24.12 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 55.99 -178.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -73.85 126.6 30.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -138.24 -172.47 3.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p 46.19 81.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 135.99 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 51.4 p -72.33 153.5 92.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -15.61 36.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.06 111.22 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -125.66 133.97 8.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 44.2 m -96.45 49.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.822 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -163.53 36.1 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -66.12 -25.75 67.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -82.37 -20.6 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.675 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.3 -40.26 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.68 -73.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.67 -57.66 11.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.74 -15.03 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.579 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -73.04 -47.75 23.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -96.06 -25.01 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.34 -7.35 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.579 HG22 ' O ' ' B' ' 555' ' ' GLY . 14.9 tt -85.51 -23.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -143.14 29.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 127.46 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 54.98 23.39 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 63.25 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.61 139.39 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -176.42 164.87 2.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.484 ' OG1' HD23 ' A' ' 527' ' ' LEU . 3.3 p -155.41 -42.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.484 HD23 ' OG1' ' A' ' 526' ' ' THR . 0.4 OUTLIER -114.77 159.11 20.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 9.1 m -69.78 158.01 88.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.63 4.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.646 2.23 . . . . 0.0 112.414 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -137.02 102.88 4.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' B' ' 535' ' ' LEU . . . -84.35 -116.58 0.71 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.556 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 83.3 p -152.36 -46.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -140.68 -117.68 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -79.03 -19.17 52.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -74.49 -18.87 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 545' ' ' VAL . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' B' ' 546' ' ' VAL . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -51.7 -36.17 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.05 -75.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.0 -60.45 8.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 53.7 t -50.29 -41.3 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.692 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -51.53 -58.07 10.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.553 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -77.08 -15.41 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -61.57 -17.72 56.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 555' ' ' GLY . 19.9 tt -81.77 -21.88 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -89.67 -15.64 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.7 -26.31 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 52.74 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 137.3 32.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 38.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -129.72 132.3 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.771 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.42 -171.37 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 76.5 p -133.69 -42.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.87 -175.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 70.3 m -130.32 154.03 81.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.05 4.02 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.41 107.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 86.64 143.01 7.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.586 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 21.0 m -91.48 -28.95 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 175.34 37.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -63.04 -30.32 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 535' ' ' LEU . 2.6 mm? -90.15 -20.36 23.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.662 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.23 -39.63 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.86 -72.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -57.8 12.06 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.99 -14.66 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.442 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -72.92 -48.48 20.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -95.1 -26.85 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -72.06 -9.12 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 555' ' ' GLY . 9.1 tt -97.58 -21.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -88.83 -20.37 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -65.01 -25.06 67.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.14 25.68 11.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 55.29 -175.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.81 144.99 43.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -165.93 -179.37 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 525' ' ' GLN . 3.1 p -155.91 25.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.3 mp -127.05 52.81 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 94.6 p -133.57 85.67 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 161.38 46.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.602 2.201 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.5 106.0 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 147.17 98.5 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 5.1 p -159.22 -70.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.5 -121.35 1.86 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.99 -22.75 21.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? -75.45 -19.46 59.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 545' ' ' VAL . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' B' ' 546' ' ' VAL . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.52 -36.59 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.24 -74.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.51 19.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.3 t -63.0 -14.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.414 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -74.88 -47.43 14.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -95.0 -39.33 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.58 -20.68 34.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 555' ' ' GLY . 1.0 OUTLIER -85.55 -29.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -117.61 32.98 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -21.98 22.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -23.91 14.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 62.0 165.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -112.56 115.63 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -128.12 -171.38 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.3 p 46.61 84.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 107.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 528' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' B' ' 529' ' ' PRO . 15.4 m -109.24 154.5 42.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 529' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' B' ' 528' ' ' SER . 54.1 Cg_endo -69.69 116.86 4.75 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.745 2.296 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.21 104.54 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -63.45 -169.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 4.9 m -83.8 -31.85 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 52.56 52.63 36.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -64.06 -26.36 68.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -89.83 -20.01 23.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.656 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? -51.29 -36.47 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.61 -74.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.83 -59.36 8.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.51 -17.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.802 0.334 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.559 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -70.1 -51.48 22.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -91.85 -24.2 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -73.83 -7.59 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.559 HG22 ' O ' ' B' ' 555' ' ' GLY . 16.4 tt -99.34 -16.91 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -109.26 -24.76 10.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -85.02 -37.3 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 54.1 77.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -129.7 134.0 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.8 136.36 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.5 p -146.73 74.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.21 147.5 50.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.2 m -123.22 155.12 65.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 135.07 29.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.62 2.214 . . . . 0.0 112.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -140.65 -165.72 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 536' ' ' ALA . . . 117.29 143.91 7.65 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 93.7 p -138.35 -47.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.94 -113.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -89.44 -18.33 26.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -70.93 -20.08 62.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.43 ' HB2' ' CA ' ' A' ' 531' ' ' GLY . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 545' ' ' VAL . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' B' ' 546' ' ' VAL . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.33 -40.42 59.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.78 -72.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.7 -57.67 11.86 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.42 -14.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.02 -47.0 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -96.93 -26.39 15.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -72.67 -8.17 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 555' ' ' GLY . 5.4 tt -88.26 -25.06 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -133.69 37.29 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -82.91 -20.31 35.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 -29.58 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 63.18 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -112.78 136.93 51.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -145.62 147.72 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 13.0 p -140.87 70.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.38 139.55 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 58.3 m -64.07 155.61 77.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -40.61 5.1 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.33 -165.91 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.5 129.16 9.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 70.6 p -102.91 61.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 62.66 46.5 93.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.73 -26.66 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -85.97 -20.58 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 545' ' ' VAL . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.657 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.627 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.76 -30.55 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.22 -76.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.63 -56.58 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 44.0 t -56.09 -39.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.407 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -61.49 -29.58 72.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -92.64 -28.25 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.77 -14.13 62.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.407 HG22 ' O ' ' B' ' 555' ' ' GLY . 3.8 tt -96.57 -22.32 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -97.1 -24.86 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.32 -29.23 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.16 27.25 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 57.22 -174.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -112.58 129.96 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.96 175.46 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.3 p -151.87 80.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.89 116.9 32.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 35.6 m -71.21 154.61 93.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.617 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -35.35 12.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.65 105.18 3.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 161.46 -167.23 36.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.417 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 13.7 p -117.78 -33.6 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 537' ' ' VAL . . . 69.45 88.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.69 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? -92.88 -19.61 21.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 533' ' ' GLY . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 545' ' ' VAL . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' B' ' 546' ' ' VAL . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.55 -29.22 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.92 -75.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.2 49.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.48 -42.65 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.88 -20.35 70.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -94.53 -28.78 15.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.18 -13.99 62.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 20.5 tt -99.33 -22.36 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -97.02 -21.25 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.791 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 136.87 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 56.49 24.95 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 52.9 -171.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -56.81 132.66 52.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -142.91 135.03 27.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 24.8 p -148.53 94.6 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 527' ' ' LEU . 4.0 mm? 56.72 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.4 m -124.57 157.05 66.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.7 0.762 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.8 13.96 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.68 -163.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -54.1 165.85 2.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 14.9 m -130.98 78.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -102.9 48.74 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -81.69 -25.26 35.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -77.76 -19.18 55.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 546' ' ' VAL . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -42.35 60.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.11 -71.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.12 -63.54 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.423 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.15 -22.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.392 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.23 -59.28 8.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -85.07 -22.09 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -73.99 -4.45 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -119.93 -7.93 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -131.88 14.56 4.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -29.67 10.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -137.18 -50.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -157.86 179.39 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 123.17 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -136.2 138.4 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 p -151.03 117.61 5.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.75 175.89 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 49.9 m -81.6 152.24 69.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.76 0.791 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 134.37 27.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.95 108.28 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 84.59 139.33 4.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.7 m -138.87 87.89 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -112.17 -122.01 4.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -88.6 -21.96 23.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.8 mm? -76.59 -19.42 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 541' ' ' VAL . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' B' ' 546' ' ' VAL . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 546' ' ' VAL . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.65 -37.63 51.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -55.18 -67.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.57 -54.18 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.5 t -52.49 -22.53 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.213 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -78.27 -67.79 1.58 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.21 -42.81 99.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -58.52 -19.83 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 10.3 mm -100.18 -29.87 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -85.78 -11.96 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -72.06 -18.15 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 39.4 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -31.52 15.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.37 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -121.99 132.24 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.55 131.89 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 12.2 p -150.07 72.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.41 120.2 38.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 18.0 p -97.33 156.34 36.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.82 171.77 13.93 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -135.39 103.13 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 67.55 169.35 4.36 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 61.6 p -84.0 -25.19 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 84.42 84.99 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -84.16 -30.74 25.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.1 -19.8 21.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -37.47 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.34 -73.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.14 -63.69 4.94 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 42.9 t -49.85 -39.3 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.59 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -51.41 -58.82 9.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -79.16 -15.34 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -58.58 -19.61 39.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 555' ' ' GLY . 19.6 tt -80.89 -19.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 559' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 563' ' ' LYS . 74.1 m80 -99.05 -6.39 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -50.47 -30.46 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.71 -51.48 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -156.75 119.57 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 563' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' B' ' 559' ' ' HIS . 4.9 pttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -114.02 137.8 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -170.93 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.6 p -130.63 -73.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 25.1 mt 54.22 82.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 12.4 p -52.75 157.08 2.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 166.16 28.43 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.703 2.268 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.88 -163.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' A' ' 536' ' ' ALA . . . 127.95 163.25 11.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.8 p -163.13 -40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -133.12 -121.45 2.22 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -90.14 -13.97 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? -74.53 -19.13 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.404 ' HB2' ' CA ' ' A' ' 531' ' ' GLY . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' B' ' 546' ' ' VAL . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -51.31 -33.05 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.76 -69.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.27 -53.61 35.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.7 -23.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -79.59 -68.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.58 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.2 -47.71 84.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.43 -27.13 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 14.2 mm -94.09 -30.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -67.66 -18.51 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -60.91 -27.57 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -131.68 57.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 129.83 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.29 144.42 42.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.11 173.72 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p -153.07 25.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 6.3 mt -101.47 158.54 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.7 p -102.39 156.34 35.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 -19.48 35.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -162.74 117.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -96.62 154.17 20.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.568 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 18.9 m -125.87 66.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.387 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 76.97 75.47 0.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -72.38 -26.41 61.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.35 -20.14 21.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.416 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -40.04 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.21 -72.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.24 -59.83 8.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -17.78 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.615 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -69.41 -52.92 19.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -90.81 -24.47 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.41 -7.85 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.615 HG22 ' O ' ' B' ' 555' ' ' GLY . 7.5 tt -98.33 -19.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.191 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -96.73 -11.12 25.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -64.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.92 -21.82 63.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 63.36 77.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.57 142.55 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -136.96 -171.5 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 44.3 p -132.43 169.85 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.67 -176.47 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 8.0 p -129.17 85.71 58.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.708 0.766 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 168.46 21.59 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -165.57 113.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 171.47 -134.81 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.6 m -53.35 -46.23 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 102.67 -37.37 3.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -62.63 -25.9 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? -82.64 -19.55 38.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' B' ' 546' ' ' VAL . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.88 -32.88 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.29 -71.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -54.96 33.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.3 -33.64 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.33 78.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -89.43 -32.69 17.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.65 -16.67 58.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -98.16 -28.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -131.17 54.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -25.52 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.59 25.69 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 4.6 mpp_? 53.53 40.6 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -107.79 139.9 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -130.06 -171.39 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 23.7 p -139.44 145.59 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.35 156.1 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 4.4 p -55.12 157.8 5.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 166.38 27.83 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -140.37 104.0 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.9 85.78 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 99.0 p -148.52 28.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 533' ' ' GLY . . . . . 0.447 ' O ' HG23 ' B' ' 537' ' ' VAL . . . -161.07 91.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.421 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -58.78 -37.59 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 110.805 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.2 -19.58 22.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 533' ' ' GLY . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? -51.36 -38.11 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.11 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.62 25.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.05 -33.01 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.649 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -69.45 -27.2 73.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.3 -24.54 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 560' ' ' ARG . 21.3 m-85 -80.39 10.44 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.649 HG22 ' O ' ' B' ' 555' ' ' GLY . 1.0 OUTLIER -106.07 -12.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -128.77 22.04 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 557' ' ' PHE . 5.4 mmm180 -49.78 100.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.96 -62.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 173.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.979 0.419 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.27 137.91 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.02 175.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.576 ' C ' HD13 ' A' ' 527' ' ' LEU . 7.2 p -154.27 143.35 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 527' ' ' LEU . 0.0 OUTLIER -157.05 23.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.4 m -98.91 156.3 35.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.721 0.772 . . . . 0.0 110.796 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.36 56.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.238 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -148.32 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -140.65 38.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 18.6 p -155.56 94.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 147.45 118.76 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.33 -35.89 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? -85.42 -19.18 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' B' ' 546' ' ' VAL . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.29 -39.09 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.93 -72.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.15 -57.96 11.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.9 -14.96 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -72.57 -47.83 25.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -96.2 -25.04 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.57 -7.96 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 555' ' ' GLY . 0.9 OUTLIER -86.96 -23.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -138.89 28.84 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -16.04 60.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.18 50.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.69 128.07 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -137.38 127.13 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -143.08 -174.06 4.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 4.9 p -134.35 171.34 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.22 49.11 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 8.6 p -138.83 157.1 72.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 80.7 0.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.755 2.304 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.31 104.49 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -101.71 116.33 5.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 66.3 m -117.84 -66.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 153.29 94.99 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.21 -26.1 64.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.41 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? -81.19 -19.29 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.658 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.09 -29.75 22.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.11 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -55.44 30.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.422 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 99.0 t -53.17 -37.51 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.404 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -58.66 -50.28 68.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.07 -29.17 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -75.68 46.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' B' ' 559' ' ' HIS . 0.7 OUTLIER -129.51 -18.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 559' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' B' ' 558' ' ' ILE . 0.2 OUTLIER -153.77 40.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -32.66 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.55 55.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -88.39 143.16 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -175.45 173.12 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 525' ' ' GLN . 4.4 p -155.44 164.65 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 527' ' ' LEU . 4.2 mm? -99.82 118.51 36.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 24.1 m -113.9 155.95 44.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.615 0.721 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 140.72 43.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -149.83 103.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 165.33 45.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 64.0 p -93.45 -62.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.77 -121.88 2.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -90.13 -21.63 22.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.07 -18.98 61.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' B' ' 546' ' ' VAL . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.37 -32.73 26.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.25 -75.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.53 -49.53 45.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.73 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.655 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -63.92 -21.19 65.29 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -91.63 -30.78 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' PHE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 560' ' ' ARG . 35.8 m-85 -79.54 2.88 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 555' ' ' GLY . 2.6 tt -97.94 -11.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -124.28 -33.79 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 557' ' ' PHE . 0.1 OUTLIER -48.26 131.75 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 51.46 42.84 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 134.6 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -131.64 131.69 43.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 525' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 526' ' ' THR . 1.8 pp0? -175.42 179.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 526' ' ' THR . . . . . 0.564 ' C ' HD13 ' B' ' 527' ' ' LEU . 5.2 p -155.6 169.68 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.583 ' N ' HD13 ' B' ' 527' ' ' LEU . 0.0 OUTLIER -156.58 25.34 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 74.1 m -128.68 155.71 78.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 91.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.261 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -139.61 -161.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 118.24 107.85 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 26.6 p -112.0 36.11 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 63.53 79.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -60.37 -28.24 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 535' ' ' LEU . 2.6 mm? -92.92 -20.73 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' A' ' 546' ' ' VAL . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 550' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 546' ' ' VAL . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.96 -34.55 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.89 -77.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -55.02 27.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.425 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 62.2 t -56.68 -38.22 56.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.412 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -65.55 -25.44 71.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -91.12 -29.5 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -67.67 -19.39 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 555' ' ' GLY . 4.4 tt -91.79 -20.64 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.46 -24.01 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -64.33 -25.04 67.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -130.02 52.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.16 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -132.66 140.62 48.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.798 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -131.95 135.09 46.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 7.3 p -152.98 164.45 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.6 mt 54.84 59.93 3.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 50.2 m -120.42 154.79 56.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.679 0.752 . . . . 0.0 110.786 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 113.99 3.58 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.625 2.216 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -142.07 103.55 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 163.58 40.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.565 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 37.5 m -80.32 -60.05 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -152.12 -119.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.47 -22.96 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -74.28 -19.45 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 545' ' ' VAL . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 546' ' ' VAL . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.08 -27.38 32.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -70.88 -75.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.13 -53.3 41.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.63 -42.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -63.76 -23.45 67.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.386 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.76 -30.13 15.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -71.43 -10.1 59.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 555' ' ' GLY . 4.7 tt -95.48 -22.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -84.09 -23.51 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.22 -47.18 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -31.26 26.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 58.94 64.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.42 140.71 52.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -131.87 -172.43 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 9.0 p 51.35 -170.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.55 140.95 45.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 32.5 p -109.15 155.54 40.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 122.09 8.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -136.7 99.93 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 79.94 155.42 10.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 55.8 m -142.95 -45.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 533' ' ' GLY . . . . . 0.461 ' C ' HD22 ' B' ' 535' ' ' LEU . . . 109.54 92.08 2.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -81.68 62.27 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.461 HD22 ' C ' ' B' ' 533' ' ' GLY . 2.7 mm? -92.15 -20.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.665 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.4 -41.56 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.3 -72.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.75 -65.93 3.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.3 -26.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.052 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.467 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -62.99 -65.94 2.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -77.18 -19.93 56.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.87 -6.26 46.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 555' ' ' GLY . 0.5 OUTLIER -70.33 -18.89 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.196 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -105.94 -154.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.37 -72.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -99.27 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -32.95 10.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.36 140.07 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -127.47 -170.97 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 4.5 p -134.31 107.73 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.56 82.12 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 13.6 m -120.72 85.56 39.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.719 0.771 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.68 11.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.286 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.79 101.74 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -59.08 178.36 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.553 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 70.5 m 51.94 78.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -172.8 99.49 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -53.26 -36.14 60.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? -92.47 -19.21 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 545' ' ' VAL . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' B' ' 546' ' ' VAL . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -52.23 -29.65 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.3 -75.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.04 41.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.382 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.95 -33.62 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -69.32 -25.05 75.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -92.76 -27.93 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.94 -13.29 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 15.1 tt -99.34 -21.94 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -98.09 -22.45 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 133.07 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.83 31.32 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.03 -161.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.77 143.39 51.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -165.92 -179.17 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.0 p -154.68 176.46 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 59.14 -176.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 73.4 m -56.23 155.53 12.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.692 0.758 . . . . 0.0 110.799 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.92 37.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 104.32 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 167.08 47.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 71.1 m -111.34 33.01 4.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 77.65 22.98 68.4 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -70.74 -27.0 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -90.74 -19.19 23.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' A' ' 546' ' ' VAL . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.646 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.633 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.63 -37.7 51.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.82 -75.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.17 5.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.84 -39.41 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.659 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -52.27 -57.12 14.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.73 -16.72 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.4 -18.75 52.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.659 HG22 ' O ' ' B' ' 555' ' ' GLY . 1.4 tt -80.81 -22.45 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -87.32 -16.96 33.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -51.49 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -110.6 35.0 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.94 -165.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 28.1 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -112.07 139.04 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -137.18 139.67 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 43.3 p -149.68 120.44 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 122.77 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 529' ' ' PRO . 54.6 p -54.77 155.33 8.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 528' ' ' SER . 54.5 Cg_endo -69.69 91.75 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -153.59 106.38 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 536' ' ' ALA . . . -117.59 -87.0 1.2 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.9 p -173.4 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.884 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.48 -119.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -88.41 -16.36 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.2 mm? -71.63 -20.59 61.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.43 ' HB2' ' HA3' ' A' ' 531' ' ' GLY . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 545' ' ' VAL . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' B' ' 546' ' ' VAL . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.24 -38.31 51.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.66 -72.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.52 -57.87 12.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.489 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.83 -14.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.427 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.02 -48.94 18.29 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.44 -35.48 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.06 -18.21 56.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 555' ' ' GLY . 4.1 tt -89.7 -29.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -107.73 46.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -90.54 -25.67 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -106.43 -22.59 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 39.54 39.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 135.83 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.89 164.22 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.9 p -152.58 62.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 4.5 mt 55.66 44.36 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 23.1 p -129.2 154.65 80.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -16.03 37.51 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.82 105.06 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.55 18.97 34.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 11.8 m -142.31 65.16 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.389 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 164.33 46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -81.74 -25.77 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.9 mm? -82.69 -20.57 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.44 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' A' ' 546' ' ' VAL . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.659 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.69 -35.69 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.59 -75.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.32 -59.51 9.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.23 -27.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.61 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -76.08 -23.68 70.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.498 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -92.48 -23.47 19.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.42 -2.95 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.61 HG22 ' O ' ' B' ' 555' ' ' GLY . 12.9 tt -90.89 -18.3 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -137.73 9.06 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.771 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 103.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 73.13 -61.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.13 155.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mttp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.43 117.82 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -130.83 -172.31 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 73.3 p -142.36 118.73 10.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.63 161.87 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 31.5 p -97.84 156.1 36.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.17 56.57 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.407 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.55 104.06 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.05 134.09 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.9 m -114.47 -45.19 3.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -159.01 -116.87 0.47 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.532 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -81.5 -22.97 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.13 -19.9 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 546' ' ' VAL . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -52.38 -29.73 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.29 -74.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.5 50.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.79 -35.66 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.44 -19.56 79.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -95.62 -29.56 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.22 -12.4 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.8 tt -103.5 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -133.4 45.4 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -149.9 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.08 136.16 15.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.44 114.02 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 525' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 526' ' ' THR . 0.0 OUTLIER -175.12 178.64 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 526' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 525' ' ' GLN . 3.1 p -155.46 138.95 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 21.3 mt -81.73 -179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 7.7 p -120.03 85.71 35.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -179.8 3.17 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -140.99 -163.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -98.47 103.6 2.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.419 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 86.1 p -157.31 46.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 88.04 47.26 4.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.554 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.08 -26.22 56.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -79.18 -20.5 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.14 -39.44 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.0 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.06 -57.87 11.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.83 -15.02 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.457 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -72.48 -48.57 23.11 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -95.2 -26.35 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -72.62 -8.56 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.457 HG22 ' O ' ' B' ' 555' ' ' GLY . 17.0 tt -97.14 -20.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -98.95 -25.29 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 135.54 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 28.8 mmt-85 56.23 27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.09 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -91.82 133.47 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -141.6 -170.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 82.1 p -146.09 41.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mt 58.32 -175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 7.9 p -76.7 156.78 82.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.35 14.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.389 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.73 100.11 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.443 ' HA2' HD12 ' B' ' 535' ' ' LEU . . . -72.71 -130.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 88.6 p -134.61 -51.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -141.71 -119.52 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -66.17 -25.5 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -75.36 -20.21 59.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 541' ' ' VAL . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' B' ' 546' ' ' VAL . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.46 -39.88 58.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.74 -72.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.22 -58.51 10.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.418 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.69 -16.29 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.9 0.381 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -71.12 -50.58 21.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -92.79 -27.76 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.6 -7.63 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 555' ' ' GLY . 1.7 tt -104.11 -22.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -141.86 45.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -25.16 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -150.84 49.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 136.28 18.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -122.71 127.14 48.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -138.1 137.33 37.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.5 p -151.26 96.54 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.44 33.12 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 13.9 m -132.69 153.78 81.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 144.75 54.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.585 2.19 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.17 -163.34 1.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 64.01 -118.19 12.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 69.5 m -131.07 -58.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -149.95 -119.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -89.88 -14.23 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.443 HD12 ' HA2' ' A' ' 531' ' ' GLY . 2.8 mm? -76.35 -19.92 57.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' VAL . . . . . 0.729 ' O ' HG23 ' B' ' 545' ' ' VAL . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 541' ' ' VAL . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 546' ' ' VAL . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 548' ' ' LEU . . . . . 0.649 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.636 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.81 -40.67 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.05 -74.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -64.37 4.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.4 t -49.74 -38.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 555' ' ' GLY . . . . . 0.657 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -52.04 -54.58 25.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.408 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -83.87 -16.24 45.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.78 -14.56 61.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 555' ' ' GLY . 2.0 tt -81.66 -30.57 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -128.01 41.57 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.91 127.35 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 56.33 24.17 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.85 -164.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 115.723 -2.084 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -86.11 158.18 19.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 121.629 2.013 . . . . 0.0 112.285 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -66.16 150.04 49.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.356 2.662 . . . . 0.0 106.043 -175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.8 p -100.1 117.16 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.335 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 33.2 tp -113.47 103.34 11.18 Favored 'General case' 0 C--N 1.326 -0.414 1 C-N-CA 132.228 4.211 . . . . 0.0 107.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . 0.257 9.9 t -74.79 133.89 75.88 Favored Pre-proline 0 N--CA 1.446 -0.649 0 O-C-N 127.935 3.272 . . . . 0.0 104.79 166.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -67.7 167.76 20.23 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 N-CA-C 115.292 1.228 . . . . 0.0 115.292 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.52 130.34 41.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 128.353 3.93 . . . . 0.0 108.925 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.38 96.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 97.4 p -92.82 -22.86 19.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 111.93 -12.34 27.05 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 113.006 -1.906 . . . . 0.0 113.99 -172.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -46.72 -31.99 3.3 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.836 3.254 . . . . 0.0 116.663 175.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.29 -7.98 28.06 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 117.204 -3.435 . . . . 0.0 110.677 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 537' ' ' VAL . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt -51.54 -52.82 43.95 Favored 'General case' 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.6 80.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 128.186 2.594 . . . . 0.0 114.417 168.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.73 -66.79 2.3 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 127.33 2.395 . . . . 0.0 112.597 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 1.2 p -52.87 -25.39 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 111.89 -2.155 . . . . 0.0 113.71 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -90.58 -19.15 45.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-O 113.589 -3.895 . . . . 0.0 110.66 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -77.24 -36.18 54.77 Favored 'General case' 0 N--CA 1.445 -0.708 1 CA-C-N 125.411 4.606 . . . . 0.0 112.875 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -79.0 9.19 4.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 173.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . 0.462 16.0 tt -130.38 -1.83 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 1 C-N-CA 132.466 4.306 . . . . 0.0 112.178 175.54 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -116.76 59.82 0.75 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 130.288 3.435 . . . . 0.0 108.702 170.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . 0.25 10.4 mtm180 -130.62 177.84 7.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.421 1.888 . . . . 0.0 106.058 161.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -92.5 -37.32 12.58 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 128.384 2.673 . . . . 0.0 109.055 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -98.6 75.38 2.17 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 169.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.8 -3.062 . . . . 0.0 114.598 -179.477 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -155.11 175.93 13.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . 0.302 4.6 pp0? -142.48 -179.59 6.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.859 0.863 . . . . 0.0 112.578 170.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 81.7 p -141.3 -3.73 1.18 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.88 1.672 . . . . 0.0 112.305 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.1 -39.6 82.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.376 1.87 . . . . 0.0 109.68 -172.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 12.7 p -140.18 126.74 12.12 Favored Pre-proline 0 N--CA 1.445 -0.707 0 C-N-CA 126.515 1.926 . . . . 0.0 113.557 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -69.39 -174.46 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 CA-C-O 126.894 2.789 . . . . 0.0 114.907 -162.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -81.83 105.14 12.72 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 116.919 -3.613 . . . . 0.0 110.061 172.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -143.13 -164.56 10.28 Favored Glycine 0 C--N 1.344 1.027 1 O-C-N 129.815 4.447 . . . . 0.0 107.55 163.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . 0.551 55.5 p -139.51 22.0 2.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -175.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 129.82 172.93 13.25 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 121.32 1.873 . . . . 0.0 109.176 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -116.24 12.53 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 129.246 3.018 . . . . 0.0 116.024 -165.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.2 -6.61 16.3 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.894 1.678 . . . . 0.0 114.295 170.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 537' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 537' ' ' VAL . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.411 ' O ' HD13 ' B' ' 547' ' ' LEU . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt -56.16 -30.59 62.42 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.17 64.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 126.934 2.093 . . . . 0.0 111.025 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 553' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' B' ' 557' ' ' PHE . . . -72.99 -52.69 8.7 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 129.527 3.441 . . . . 0.0 115.234 170.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.88 -37.9 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 113.805 -2.998 . . . . 0.0 107.768 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -46.08 -56.75 6.67 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 127.125 2.766 . . . . 0.0 116.086 170.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -74.83 -26.03 59.42 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.206 1.803 . . . . 0.0 111.868 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 557' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' B' ' 553' ' ' GLY . 0.7 OUTLIER -76.93 -27.82 55.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.586 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . 0.307 38.7 mt -48.82 -50.56 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 131.562 3.945 . . . . 0.0 108.5 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -154.1 97.81 2.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.995 -1.478 . . . . 0.0 108.84 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -79.88 -5.57 55.77 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 122.317 2.326 . . . . 0.0 111.857 -166.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . 0.571 26.2 mtm180 95.39 -47.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 2 C-N-CA 133.933 4.893 . . . . 0.0 108.479 -170.578 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . 0.334 65.4 mtp85 -83.19 135.8 34.65 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 111.023 -2.808 . . . . 0.0 107.731 172.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . 0.285 19.2 pttm . . . . . 0 C--O 1.246 0.89 0 C-N-CA 127.682 2.393 . . . . 0.0 111.912 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.579 0.704 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -80.72 106.51 12.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.644 3.177 . . . . 0.0 114.075 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -109.74 148.0 32.19 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . 0.338 44.2 p -139.97 68.11 1.37 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 130.561 3.544 . . . . 0.0 104.023 174.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.7 137.53 32.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 130.011 3.324 . . . . 0.0 109.383 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.1 m -77.75 160.56 74.16 Favored Pre-proline 0 N--CA 1.449 -0.512 0 C-N-CA 127.92 2.488 . . . . 0.0 108.881 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -82.57 166.54 15.56 Favored 'Trans proline' 0 N--CA 1.449 -1.112 1 C-N-CA 125.709 4.273 . . . . 0.0 110.607 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.8 168.14 15.73 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 119.286 -2.134 . . . . 0.0 106.443 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 133.38 161.51 9.8 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 106.571 -2.612 . . . . 0.0 106.571 164.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 27.6 t -140.66 122.98 15.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.378 1.471 . . . . 0.0 111.657 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -114.24 140.18 16.15 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 127.375 2.417 . . . . 0.0 111.309 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -99.31 -18.39 17.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 115.779 -2.058 . . . . 0.0 112.669 161.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.37 3.59 5.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.394 2.278 . . . . 0.0 113.385 160.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.18 -27.64 67.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.0 -30.06 70.54 Favored 'General case' 0 CA--C 1.519 -0.247 0 O-C-N 118.623 -2.548 . . . . 0.0 115.819 166.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -90.0 -29.16 15.98 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.528 1.768 . . . . 0.0 111.88 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.57 -18.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 O-C-N 119.106 -2.408 . . . . 0.0 108.658 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -94.68 -1.46 63.74 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 115.199 -3.0 . . . . 0.0 106.959 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -109.22 -53.94 2.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.99 1.895 . . . . 0.0 107.406 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.66 35.02 0.12 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 43.0 pt -122.6 -22.81 2.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 126.885 2.074 . . . . 0.0 114.999 162.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -148.86 95.85 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 120.418 -1.426 . . . . 0.0 107.268 -170.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -126.92 118.33 24.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 110.083 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -86.93 -24.16 24.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 127.477 2.311 . . . . 0.0 112.767 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -84.48 151.71 24.44 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.756 150.471 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.49 5.66 0.46 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 112.725 -3.512 . . . . 0.0 112.202 168.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -113.55 162.79 15.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 125.904 3.956 . . . . 0.0 109.618 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.0 p -135.06 151.7 51.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.09 52.97 0.88 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.531 3.132 . . . . 0.0 106.098 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 29.7 p -73.59 146.35 85.87 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.73 124.32 8.08 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 123.646 2.897 . . . . 0.0 108.758 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -90.92 127.18 36.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 127.821 2.449 . . . . 0.0 111.11 154.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -151.18 114.74 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 116.062 -2.521 . . . . 0.0 109.18 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 94.7 p -148.72 -1.81 0.5 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 127.194 3.378 . . . . 0.0 109.845 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -125.55 37.49 2.5 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.482 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.08 -28.41 62.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 117.085 -1.436 . . . . 0.0 113.616 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.37 -28.34 9.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' ALA . . . . . 0.503 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 542' ' ' ALA . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.04 -27.43 43.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.67 -33.6 76.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 114.912 -2.471 . . . . 0.0 113.629 168.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -76.63 -49.73 7.76 Favored Glycine 0 CA--C 1.524 0.612 1 C-N-CA 131.763 4.506 . . . . 0.0 110.487 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.77 -39.89 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.212 -2.346 . . . . 0.0 106.556 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.6 -32.94 49.04 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 118.606 -2.559 . . . . 0.0 107.452 -168.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -72.14 -45.77 59.2 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.658 1.229 . . . . 0.0 109.77 171.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . 0.268 23.3 t80 -61.31 -46.94 88.2 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 130.436 3.494 . . . . 0.0 114.375 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.74 -39.75 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 117.997 -1.481 . . . . 0.0 114.616 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 559' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 561' ' ' ARG . 34.7 t-80 -60.63 -47.96 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 128.855 2.862 . . . . 0.0 111.569 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.77 24.97 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.83 1.652 . . . . 0.0 113.905 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 561' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' B' ' 559' ' ' HIS . 35.0 mtp180 -142.99 8.33 1.66 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 131.666 3.987 . . . . 0.0 107.398 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.06 1.37 48.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 118.76 2.874 . . . . 0.0 118.76 171.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.3 pttt . . . . . 0 C--O 1.249 1.064 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -174.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 541' ' ' VAL . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' B' ' 546' ' ' VAL . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.675 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 545' ' ' VAL . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' B' ' 546' ' ' VAL . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.662 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 545' ' ' VAL . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' B' ' 546' ' ' VAL . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.656 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 545' ' ' VAL . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' B' ' 546' ' ' VAL . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 545' ' ' VAL . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.657 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.627 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 545' ' ' VAL . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' B' ' 546' ' ' VAL . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 546' ' ' VAL . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 541' ' ' VAL . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' B' ' 546' ' ' VAL . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 546' ' ' VAL . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.351 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' B' ' 546' ' ' VAL . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.416 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' B' ' 546' ' ' VAL . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.913 0.387 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' B' ' 546' ' ' VAL . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.658 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' B' ' 546' ' ' VAL . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.447 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' A' ' 546' ' ' VAL . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 546' ' ' VAL . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 545' ' ' VAL . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 546' ' ' VAL . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.665 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 545' ' ' VAL . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' B' ' 546' ' ' VAL . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.328 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' A' ' 546' ' ' VAL . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.646 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.633 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 545' ' ' VAL . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' B' ' 546' ' ' VAL . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.917 0.389 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.44 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' A' ' 546' ' ' VAL . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.659 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 546' ' ' VAL . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.692 0.282 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 541' ' ' VAL . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' B' ' 546' ' ' VAL . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.437 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . 0.729 ' O ' HG23 ' B' ' 545' ' ' VAL . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 541' ' ' VAL . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 546' ' ' VAL . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . 0.649 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.636 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 537' ' ' VAL . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 117.358 -1.306 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 537' ' ' VAL . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.411 ' O ' HD13 ' B' ' 547' ' ' LEU . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 542' ' ' ALA . . . . . 0.503 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 542' ' ' ALA . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.055 0.455 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.16 127.94 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -139.93 142.22 36.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 9.4 p -147.62 117.42 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.46 97.93 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . 0.401 ' HB2' ' HD2' ' A' ' 529' ' ' PRO . 94.4 p -58.93 154.51 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 528' ' ' SER . 54.4 Cg_endo -69.82 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.86 101.15 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -127.23 153.51 19.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 75.1 m -125.28 -42.43 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -161.72 -116.03 0.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.03 -22.97 41.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.73 -19.59 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.91 -34.7 78.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.05 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.3 mt -60.37 -59.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.55 98.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.64 -50.55 42.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.3 t -76.46 -54.33 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.8 -61.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.22 -49.51 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.95 -36.45 42.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 541' ' ' VAL . 88.2 t -67.76 -41.47 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' B' ' 546' ' ' VAL . 21.2 t -56.44 -56.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.71 -47.43 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -59.61 -37.01 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.9 tt -60.58 -37.97 83.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.43 -58.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.42 -38.74 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.49 -73.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.74 -56.97 15.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.28 -14.33 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.99 -48.04 17.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -94.8 -36.33 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.65 -18.04 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 555' ' ' GLY . 0.6 OUTLIER -89.88 -30.36 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -134.53 55.69 1.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -26.64 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -126.61 24.12 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 55.99 -178.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -73.85 126.6 30.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -138.24 -172.47 3.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p 46.19 81.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 135.99 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 51.4 p -72.33 153.5 92.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -15.61 36.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.06 111.22 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -125.66 133.97 8.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 44.2 m -96.45 49.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.822 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -163.53 36.1 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -66.12 -25.75 67.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -82.37 -20.6 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.36 80.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.8 t -54.55 -24.44 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.31 -59.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.0 -42.0 98.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.88 -50.31 44.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.393 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.8 t -77.22 -53.75 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.419 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.81 -59.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.15 -49.38 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.08 -36.47 43.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.2 t -67.79 -42.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.931 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -55.36 -57.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.92 -47.48 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.675 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.6 tm? -59.76 -37.01 77.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.8 tt -60.18 -38.51 83.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.29 -58.89 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.3 -40.26 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.68 -73.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.67 -57.66 11.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.74 -15.03 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.579 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -73.04 -47.75 23.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -96.06 -25.01 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.34 -7.35 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.579 HG22 ' O ' ' B' ' 555' ' ' GLY . 14.9 tt -85.51 -23.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . 0.511 ' CD2' HG23 ' B' ' 558' ' ' ILE . 3.5 p80 -143.14 29.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 127.46 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 54.98 23.39 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 63.25 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.61 139.39 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -176.42 164.87 2.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.484 ' OG1' HD23 ' A' ' 527' ' ' LEU . 3.3 p -155.41 -42.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.484 HD23 ' OG1' ' A' ' 526' ' ' THR . 0.4 OUTLIER -114.77 159.11 20.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 9.1 m -69.78 158.01 88.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 115.63 4.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.646 2.23 . . . . 0.0 112.414 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -137.02 102.88 4.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' B' ' 535' ' ' LEU . . . -84.35 -116.58 0.71 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.556 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 83.3 p -152.36 -46.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -140.68 -117.68 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -79.03 -19.17 52.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -74.49 -18.87 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.69 80.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.3 -22.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.7 mt -60.25 -59.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.34 99.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -49.47 47.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 545' ' ' VAL . 57.4 t -77.68 -54.15 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.86 -60.04 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.75 -49.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.13 -36.07 43.19 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.7 t -69.24 -40.65 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' B' ' 546' ' ' VAL . 21.1 t -56.67 -51.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.85 -47.82 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.58 -37.25 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.85 -40.21 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.57 -58.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -51.7 -36.17 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.05 -75.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.0 -60.45 8.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 53.7 t -50.29 -41.3 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.692 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -51.53 -58.07 10.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.553 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -77.08 -15.41 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -61.57 -17.72 56.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 555' ' ' GLY . 19.9 tt -81.77 -21.88 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -89.67 -15.64 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.7 -26.31 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 52.74 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 137.3 32.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 38.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.957 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -129.72 132.3 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.771 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.42 -171.37 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 76.5 p -133.69 -42.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.87 -175.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 70.3 m -130.32 154.03 81.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.05 4.02 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -157.41 107.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 86.64 143.01 7.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.586 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 21.0 m -91.48 -28.95 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 175.34 37.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -63.04 -30.32 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 535' ' ' LEU . 2.6 mm? -90.15 -20.36 23.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.77 -23.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.39 -58.74 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.88 99.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -50.72 43.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 84.7 t -76.92 -53.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.422 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.13 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.42 -49.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.99 -35.55 40.84 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 93.5 t -69.11 -40.34 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -57.19 -49.97 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.02 -47.71 84.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.662 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.51 -37.22 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -63.04 -39.38 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.85 -57.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.23 -39.63 57.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.86 -72.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -57.8 12.06 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.99 -14.66 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.442 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -72.92 -48.48 20.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -95.1 -26.85 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -72.06 -9.12 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 555' ' ' GLY . 9.1 tt -97.58 -21.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -88.83 -20.37 24.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -65.01 -25.06 67.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.14 25.68 11.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 55.29 -175.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.81 144.99 43.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -165.93 -179.37 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 525' ' ' GLN . 3.1 p -155.91 25.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.3 mp -127.05 52.81 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 94.6 p -133.57 85.67 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 161.38 46.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.602 2.201 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.5 106.0 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 147.17 98.5 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 5.1 p -159.22 -70.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.5 -121.35 1.86 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.99 -22.75 21.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? -75.45 -19.46 59.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.12 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.05 -23.36 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.99 -60.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.54 -42.6 97.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.72 -51.06 40.66 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 545' ' ' VAL . 60.1 t -76.18 -54.21 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.76 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.6 t -54.96 -50.1 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.68 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.4 t -68.64 -39.4 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' B' ' 546' ' ' VAL . 17.3 t -58.73 -54.24 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -38.24 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.01 -38.37 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.8 -56.26 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.52 -36.59 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.24 -74.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.51 19.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.3 t -63.0 -14.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.414 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -74.88 -47.43 14.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -95.0 -39.33 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -57.58 -20.68 34.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 555' ' ' GLY . 1.0 OUTLIER -85.55 -29.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -117.61 32.98 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -21.98 22.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -23.91 14.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 62.0 165.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -112.56 115.63 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -128.12 -171.38 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.3 p 46.61 84.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 107.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' B' ' 529' ' ' PRO . 15.4 m -109.24 154.5 42.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' B' ' 528' ' ' SER . 54.1 Cg_endo -69.69 116.86 4.75 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.745 2.296 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -146.21 104.54 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -63.45 -169.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 4.9 m -83.8 -31.85 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 52.56 52.63 36.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -64.06 -26.36 68.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -89.83 -20.01 23.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.74 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.99 -23.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.5 mt -59.66 -59.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.93 99.03 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.95 -49.97 46.56 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.417 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.5 t -77.19 -54.14 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -60.22 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.14 -48.69 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -53.02 -35.97 50.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.532 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 541' ' ' VAL . 85.7 t -68.53 -40.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -56.85 -57.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.11 -47.72 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.656 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.64 -38.33 74.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -60.56 -38.73 85.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.86 -55.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? -51.29 -36.47 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.61 -74.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.83 -59.36 8.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.51 -17.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.802 0.334 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.559 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -70.1 -51.48 22.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -91.85 -24.2 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -73.83 -7.59 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.559 HG22 ' O ' ' B' ' 555' ' ' GLY . 16.4 tt -99.34 -16.91 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -109.26 -24.76 10.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -26.95 66.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -85.02 -37.3 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 54.1 77.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -129.7 134.0 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.8 136.36 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.5 p -146.73 74.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.21 147.5 50.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.2 m -123.22 155.12 65.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 135.07 29.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.62 2.214 . . . . 0.0 112.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -140.65 -165.72 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 536' ' ' ALA . . . 117.29 143.91 7.65 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 93.7 p -138.35 -47.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.94 -113.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.418 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -89.44 -18.33 26.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -70.93 -20.08 62.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.43 ' HB2' ' CA ' ' A' ' 531' ' ' GLY . . . -65.9 -34.61 78.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.11 -23.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.51 -60.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.67 97.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.86 -50.4 44.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 545' ' ' VAL . 55.4 t -76.68 -54.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.31 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -55.72 -49.36 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.73 41.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.9 t -68.97 -40.25 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.204 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' B' ' 546' ' ' VAL . 20.7 t -57.15 -49.99 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.95 -47.53 84.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.96 -38.21 72.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.93 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.98 -56.54 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.33 -40.42 59.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.78 -72.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.7 -57.67 11.86 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.42 -14.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.02 -47.0 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -96.93 -26.39 15.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -72.67 -8.17 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 555' ' ' GLY . 5.4 tt -88.26 -25.06 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -133.69 37.29 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -82.91 -20.31 35.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 -29.58 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 63.18 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.911 0.386 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -112.78 136.93 51.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -145.62 147.72 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 13.0 p -140.87 70.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.38 139.55 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 58.3 m -64.07 155.61 77.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -40.61 5.1 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.33 -165.91 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.5 129.16 9.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 70.6 p -102.91 61.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 62.66 46.5 93.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.73 -26.66 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -85.97 -20.58 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.91 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.082 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.44 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.51 -42.19 97.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.37 44.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 545' ' ' VAL . 82.5 t -76.97 -54.03 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.83 -60.51 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.55 -49.2 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.5 47.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 541' ' ' VAL . 91.6 t -68.11 -40.32 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.942 HG22 HG22 ' A' ' 546' ' ' VAL . 21.0 t -56.9 -52.22 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.2 -46.16 83.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.657 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.1 -38.09 78.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.627 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.28 -39.51 90.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.02 -59.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.76 -30.55 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.22 -76.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.63 -56.58 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 44.0 t -56.09 -39.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.407 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -61.49 -29.58 72.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -92.64 -28.25 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.77 -14.13 62.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.407 HG22 ' O ' ' B' ' 555' ' ' GLY . 3.8 tt -96.57 -22.32 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -97.1 -24.86 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.32 -29.23 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.16 27.25 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 57.22 -174.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -112.58 129.96 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.96 175.46 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.3 p -151.87 80.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.89 116.9 32.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 35.6 m -71.21 154.61 93.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.617 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -35.35 12.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.65 105.18 3.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 161.46 -167.23 36.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.417 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 13.7 p -117.78 -33.6 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 537' ' ' VAL . . . 69.45 88.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.69 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? -92.88 -19.61 21.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.79 -35.79 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 533' ' ' GLY . 22.2 t -55.08 -23.64 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.76 -59.89 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.97 45.3 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 545' ' ' VAL . 49.0 t -77.16 -54.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -60.58 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.84 -49.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.21 -37.39 46.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.59 -39.96 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' B' ' 546' ' ' VAL . 20.4 t -57.85 -51.64 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.03 -45.66 82.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.82 -38.38 85.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -59.99 -39.36 85.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.48 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.55 -29.22 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.92 -75.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.2 49.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.48 -42.65 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.09 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.88 -20.35 70.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -94.53 -28.78 15.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.18 -13.99 62.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 20.5 tt -99.33 -22.36 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -97.02 -21.25 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.791 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 136.87 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 56.49 24.95 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 52.9 -171.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -56.81 132.66 52.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -142.91 135.03 27.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 24.8 p -148.53 94.6 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 527' ' ' LEU . 4.0 mm? 56.72 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.4 m -124.57 157.05 66.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.7 0.762 . . . . 0.0 110.792 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.8 13.96 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.68 -163.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -54.1 165.85 2.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 14.9 m -130.98 78.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -102.9 48.74 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -81.69 -25.26 35.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -77.76 -19.18 55.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.9 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.44 -23.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.7 -58.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.68 99.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.8 -50.74 42.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 44.6 t -76.86 -53.88 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.91 -60.53 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.3 t -56.21 -49.71 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.93 -35.27 39.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.5 t -69.13 -41.39 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 546' ' ' VAL . 21.4 t -55.82 -52.96 42.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 77.3 mt -56.9 -48.39 78.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -57.16 -38.1 73.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.39 -39.31 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.49 -55.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -42.35 60.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.11 -71.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.12 -63.54 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.423 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.15 -22.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.392 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.23 -59.28 8.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -85.07 -22.09 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -73.99 -4.45 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -119.93 -7.93 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -131.88 14.56 4.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -29.67 10.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -137.18 -50.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -157.86 179.39 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 123.17 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -136.2 138.4 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 17.8 p -151.03 117.61 5.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.75 175.89 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 49.9 m -81.6 152.24 69.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.76 0.791 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 134.37 27.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.733 2.289 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.95 108.28 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 84.59 139.33 4.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.7 m -138.87 87.89 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -112.17 -122.01 4.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -88.6 -21.96 23.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.8 mm? -76.59 -19.42 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.09 -23.42 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.22 -59.35 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.81 98.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.51 -50.26 42.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 545' ' ' VAL . 61.4 t -76.56 -54.68 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.72 -61.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.21 -49.44 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -36.36 44.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 541' ' ' VAL . 89.6 t -68.7 -38.91 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' B' ' 546' ' ' VAL . 17.2 t -59.78 -47.81 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.76 -46.28 89.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.4 tm? -58.12 -39.19 78.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.3 tt -63.41 -40.54 97.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 546' ' ' VAL . 89.5 t -57.56 -59.17 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.65 -37.63 51.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -55.18 -67.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.57 -54.18 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.5 t -52.49 -22.53 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.213 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -78.27 -67.79 1.58 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.21 -42.81 99.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -58.52 -19.83 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 10.3 mm -100.18 -29.87 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -85.78 -11.96 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -72.06 -18.15 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 39.4 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -31.52 15.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.37 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -121.99 132.24 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.55 131.89 51.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 12.2 p -150.07 72.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.41 120.2 38.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 18.0 p -97.33 156.34 36.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.82 171.77 13.93 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -135.39 103.13 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 67.55 169.35 4.36 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 61.6 p -84.0 -25.19 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 84.42 84.99 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -84.16 -30.74 25.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.1 -19.8 21.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.56 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.051 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.6 t -55.13 -23.63 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.05 -59.73 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.79 99.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.05 -50.33 45.72 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 45.3 t -77.43 -53.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.71 -59.49 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.28 -49.22 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.72 -35.6 46.83 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.55 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.72 -40.87 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.387 . . . . 0.0 111.151 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.989 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -56.47 -50.58 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.32 -47.94 82.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.19 -41.94 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -59.21 -39.96 84.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.95 -56.37 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -37.47 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.34 -73.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.14 -63.69 4.94 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 42.9 t -49.85 -39.3 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.59 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -51.41 -58.82 9.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -79.16 -15.34 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -58.58 -19.61 39.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.59 HG22 ' O ' ' B' ' 555' ' ' GLY . 19.6 tt -80.89 -19.48 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . 0.423 ' CD2' HG23 ' B' ' 558' ' ' ILE . 86.6 m-70 -99.05 -6.39 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -50.47 -30.46 12.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.71 -51.48 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -156.75 119.57 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 4.9 pttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -114.02 137.8 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -170.93 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 21.6 p -130.63 -73.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 25.1 mt 54.22 82.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 12.4 p -52.75 157.08 2.85 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 166.16 28.43 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.703 2.268 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.88 -163.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' A' ' 536' ' ' ALA . . . 127.95 163.25 11.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.8 p -163.13 -40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -133.12 -121.45 2.22 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -90.14 -13.97 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.9 mm? -74.53 -19.13 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.404 ' HB2' ' CA ' ' A' ' 531' ' ' GLY . . . -66.09 -35.43 80.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.29 -23.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.19 -59.7 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.1 -42.65 98.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -49.98 44.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 62.9 t -77.02 -54.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.66 -61.3 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.5 t -56.15 -49.33 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -36.61 44.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.5 t -68.46 -39.31 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' B' ' 546' ' ' VAL . 18.9 t -58.73 -51.27 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.54 -45.44 85.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.7 -38.69 82.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -61.88 -39.94 93.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.38 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -51.31 -33.05 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.76 -69.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.27 -53.61 35.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.7 -23.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -79.59 -68.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.58 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.2 -47.71 84.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.43 -27.13 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 14.2 mm -94.09 -30.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -67.66 -18.51 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -60.91 -27.57 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -131.68 57.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.51 129.83 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.29 144.42 42.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.11 173.72 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.2 p -153.07 25.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 6.3 mt -101.47 158.54 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 21.7 p -102.39 156.34 35.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 -19.48 35.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -162.74 117.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -96.62 154.17 20.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.568 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 18.9 m -125.87 66.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.387 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 76.97 75.47 0.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -72.38 -26.41 61.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.35 -20.14 21.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.1 83.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.03 -23.88 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.37 -59.13 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.82 -41.91 99.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.85 -50.68 43.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 67.3 t -76.91 -53.84 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.416 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.82 -60.57 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.13 -49.67 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.17 -35.03 41.05 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 87.5 t -69.53 -40.49 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.974 HG22 HG22 ' A' ' 546' ' ' VAL . 19.2 t -57.42 -48.78 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -56.79 -39.14 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.79 -39.66 92.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.66 -56.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.217 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.13 -40.04 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.21 -72.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.24 -59.83 8.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -17.78 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.615 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -69.41 -52.92 19.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -90.81 -24.47 20.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.41 -7.85 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.615 HG22 ' O ' ' B' ' 555' ' ' GLY . 7.5 tt -98.33 -19.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.191 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -96.73 -11.12 25.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -64.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.92 -21.82 63.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 63.36 77.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.57 142.55 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -136.96 -171.5 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 44.3 p -132.43 169.85 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.67 -176.47 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 8.0 p -129.17 85.71 58.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.708 0.766 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 168.46 21.59 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -165.57 113.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 171.47 -134.81 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.6 m -53.35 -46.23 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 102.67 -37.37 3.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -62.63 -25.9 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? -82.64 -19.55 38.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.81 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.12 -23.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.02 -59.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.31 -42.74 97.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.93 45.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 70.0 t -76.95 -54.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.77 -60.98 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.9 t -56.04 -49.44 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.57 43.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.0 t -69.15 -39.5 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' B' ' 546' ' ' VAL . 18.8 t -58.45 -50.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.53 -39.64 77.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -60.42 -40.21 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.98 -57.7 10.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.88 -32.88 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.29 -71.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -54.96 33.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.3 -33.64 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.33 78.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -89.43 -32.69 17.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.844 0.354 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.65 -16.67 58.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.6 tt -98.16 -28.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -131.17 54.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -25.52 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.59 25.69 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 4.6 mpp_? 53.53 40.6 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -107.79 139.9 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -130.06 -171.39 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 23.7 p -139.44 145.59 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.35 156.1 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 4.4 p -55.12 157.8 5.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 166.38 27.83 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -140.37 104.0 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -92.9 85.78 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 99.0 p -148.52 28.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . 0.447 ' O ' HG23 ' B' ' 537' ' ' VAL . . . -161.07 91.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.421 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -58.78 -37.59 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 110.805 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.449 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -92.2 -19.58 22.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.3 -35.38 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 533' ' ' GLY . 22.3 t -55.12 -23.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.34 -59.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.42 98.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.92 -50.76 43.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 545' ' ' VAL . 59.3 t -76.99 -53.53 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.89 -60.02 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.45 -49.92 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.03 -36.73 43.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.0 t -67.5 -40.61 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 546' ' ' VAL . 19.8 t -57.09 -49.86 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.97 -47.63 82.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -55.61 -45.21 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -56.6 -39.19 73.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.25 -54.89 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 551' ' ' LEU . 4.3 mm? -51.36 -38.11 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.11 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.62 25.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.05 -33.01 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.649 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -69.45 -27.2 73.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.3 -24.54 20.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 560' ' ' ARG . 21.3 m-85 -80.39 10.44 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.649 HG22 ' O ' ' B' ' 555' ' ' GLY . 1.0 OUTLIER -106.07 -12.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -128.77 22.04 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 557' ' ' PHE . 5.4 mmm180 -49.78 100.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.96 -62.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 173.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.979 0.419 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.27 137.91 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.02 175.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.576 ' C ' HD13 ' A' ' 527' ' ' LEU . 7.2 p -154.27 143.35 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 527' ' ' LEU . 0.0 OUTLIER -157.05 23.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.4 m -98.91 156.3 35.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.721 0.772 . . . . 0.0 110.796 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.36 56.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.238 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -148.32 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -140.65 38.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 18.6 p -155.56 94.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 147.45 118.76 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.33 -35.89 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.6 mm? -85.42 -19.18 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.4 80.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.054 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.32 -23.24 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.42 -59.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.94 -42.61 98.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.81 -49.12 49.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.4 t -77.74 -54.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.83 -60.28 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.02 -48.56 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.97 -36.59 43.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -68.58 -42.16 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' B' ' 546' ' ' VAL . 21.9 t -54.21 -55.35 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -48.92 73.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.6 tm? -57.47 -36.74 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.76 -56.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.29 -39.09 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.93 -72.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.15 -57.96 11.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.9 -14.96 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -72.57 -47.83 25.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -96.2 -25.04 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -73.57 -7.96 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 555' ' ' GLY . 0.9 OUTLIER -86.96 -23.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -138.89 28.84 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -16.04 60.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.18 50.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.69 128.07 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -137.38 127.13 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -143.08 -174.06 4.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 4.9 p -134.35 171.34 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.22 49.11 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 8.6 p -138.83 157.1 72.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 80.7 0.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.755 2.304 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.31 104.49 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -101.71 116.33 5.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 66.3 m -117.84 -66.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 153.29 94.99 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.21 -26.1 64.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.41 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.6 mm? -81.19 -19.29 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.67 81.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.57 -23.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.74 -58.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.92 99.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -51.2 41.82 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.423 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.0 t -76.52 -53.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.81 -60.59 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.7 -49.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -51.96 -36.59 42.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.547 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.4 t -67.33 -41.47 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 546' ' ' VAL . 21.3 t -56.46 -50.93 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 63.1 mt -57.22 -46.26 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.658 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -60.16 -37.49 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.638 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -61.07 -39.27 89.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.17 -60.01 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.09 -29.75 22.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.11 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -57.33 -55.44 30.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.422 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 99.0 t -53.17 -37.51 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.404 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -58.66 -50.28 68.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.07 -29.17 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -75.68 46.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' B' ' 559' ' ' HIS . 0.7 OUTLIER -129.51 -18.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' B' ' 558' ' ' ILE . 0.2 OUTLIER -153.77 40.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -32.66 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.55 55.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -88.39 143.16 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 526' ' ' THR . 0.0 OUTLIER -175.45 173.12 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 525' ' ' GLN . 4.4 p -155.44 164.65 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 527' ' ' LEU . 4.2 mm? -99.82 118.51 36.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 24.1 m -113.9 155.95 44.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.615 0.721 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 140.72 43.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -149.83 103.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 165.33 45.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 64.0 p -93.45 -62.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -137.77 -121.88 2.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -90.13 -21.63 22.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.07 -18.98 61.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.21 79.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -55.24 -22.53 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.46 -60.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.71 -42.5 97.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.35 43.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 545' ' ' VAL . 46.3 t -76.7 -54.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.38 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.56 -49.55 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.8 43.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 541' ' ' VAL . 85.3 t -69.06 -39.0 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' B' ' 546' ' ' VAL . 17.0 t -59.64 -49.43 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.45 -47.47 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -56.93 -43.88 81.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.4 tt -56.98 -39.42 74.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.02 -56.88 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.37 -32.73 26.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -68.25 -75.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.53 -49.53 45.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.73 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.655 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -63.92 -21.19 65.29 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -91.63 -30.78 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 560' ' ' ARG . 35.8 m-85 -79.54 2.88 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 555' ' ' GLY . 2.6 tt -97.94 -11.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -124.28 -33.79 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 557' ' ' PHE . 0.1 OUTLIER -48.26 131.75 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 51.46 42.84 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 134.6 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -131.64 131.69 43.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 526' ' ' THR . 1.8 pp0? -175.42 179.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . 0.564 ' C ' HD13 ' B' ' 527' ' ' LEU . 5.2 p -155.6 169.68 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.583 ' N ' HD13 ' B' ' 527' ' ' LEU . 0.0 OUTLIER -156.58 25.34 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 74.1 m -128.68 155.71 78.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 91.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.261 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -139.61 -161.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 118.24 107.85 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 26.6 p -112.0 36.11 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 63.53 79.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -60.37 -28.24 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 535' ' ' LEU . 2.6 mm? -92.92 -20.73 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.73 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.3 t -54.37 -24.62 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.21 -59.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.8 -42.02 97.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.451 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.82 42.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.9 t -76.55 -54.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.77 -60.97 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.65 -49.8 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.81 43.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 541' ' ' VAL . 88.5 t -68.98 -38.53 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 1.001 HG22 HG22 ' A' ' 546' ' ' VAL . 15.8 t -60.42 -47.48 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.96 -46.63 88.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.68 -42.26 83.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.646 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.3 tt -59.31 -39.93 84.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 546' ' ' VAL . 97.4 t -59.04 -58.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.96 -34.55 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.89 -77.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -55.02 27.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.425 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 62.2 t -56.68 -38.22 56.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.412 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -65.55 -25.44 71.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -91.12 -29.5 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.389 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -67.67 -19.39 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 555' ' ' GLY . 4.4 tt -91.79 -20.64 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.46 -24.01 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -64.33 -25.04 67.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -130.02 52.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.16 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -132.66 140.62 48.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.798 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -131.95 135.09 46.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 7.3 p -152.98 164.45 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.6 mt 54.84 59.93 3.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 50.2 m -120.42 154.79 56.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.679 0.752 . . . . 0.0 110.786 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 113.99 3.58 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.625 2.216 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -142.07 103.55 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 163.58 40.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.565 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 37.5 m -80.32 -60.05 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -152.12 -119.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.47 -22.96 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -74.28 -19.45 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.42 -34.55 78.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.26 -23.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.28 -59.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.45 98.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.24 44.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 545' ' ' VAL . 84.5 t -76.73 -54.29 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.82 -61.42 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.72 -49.17 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -37.71 48.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 541' ' ' VAL . 92.7 t -67.1 -39.22 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 546' ' ' VAL . 19.8 t -58.7 -52.61 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -61.81 -37.27 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -62.03 -39.4 92.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.95 -60.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.08 -27.38 32.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -70.88 -75.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -55.13 -53.3 41.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.63 -42.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -63.76 -23.45 67.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.386 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.76 -30.13 15.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -71.43 -10.1 59.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 555' ' ' GLY . 4.7 tt -95.48 -22.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -84.09 -23.51 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.22 -47.18 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -31.26 26.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 58.94 64.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.42 140.71 52.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -131.87 -172.43 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 9.0 p 51.35 -170.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.55 140.95 45.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 32.5 p -109.15 155.54 40.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 122.09 8.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -136.7 99.93 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 79.94 155.42 10.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 55.8 m -142.95 -45.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . 0.461 ' C ' HD22 ' B' ' 535' ' ' LEU . . . 109.54 92.08 2.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -81.68 62.27 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.461 HD22 ' C ' ' B' ' 533' ' ' GLY . 2.7 mm? -92.15 -20.39 21.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.85 78.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.6 -24.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.43 -58.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.32 98.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.7 -50.88 41.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.8 t -76.33 -53.98 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.82 -61.46 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.39 -49.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.34 -35.09 42.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 541' ' ' VAL . 90.6 t -69.06 -41.17 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.961 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -56.01 -55.04 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.32 -48.4 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.665 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.647 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.93 -38.87 90.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.57 -54.89 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.4 -41.56 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -58.3 -72.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.75 -65.93 3.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 30.7 t -50.3 -26.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.052 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.467 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -62.99 -65.94 2.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -77.18 -19.93 56.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.87 -6.26 46.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 555' ' ' GLY . 0.5 OUTLIER -70.33 -18.89 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.196 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -105.94 -154.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.37 -72.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -99.27 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -32.95 10.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.36 140.07 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -127.47 -170.97 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 4.5 p -134.31 107.73 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.56 82.12 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 13.6 m -120.72 85.56 39.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.719 0.771 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.68 11.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.286 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.79 101.74 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -59.08 178.36 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.553 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 70.5 m 51.94 78.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -172.8 99.49 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -53.26 -36.14 60.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 535' ' ' LEU . 2.7 mm? -92.47 -19.21 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.47 81.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.3 -23.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.08 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.8 98.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.66 -50.29 43.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 545' ' ' VAL . 48.0 t -76.84 -54.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.71 -61.17 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.16 -49.28 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.14 -36.02 43.17 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 541' ' ' VAL . 91.1 t -69.09 -39.73 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' B' ' 546' ' ' VAL . 20.0 t -58.09 -52.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.03 -47.13 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -59.23 -38.96 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -59.65 -39.58 84.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.58 -59.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -52.23 -29.65 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.3 -75.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.04 41.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.382 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.95 -33.62 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -69.32 -25.05 75.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -92.76 -27.93 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.94 -13.29 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 15.1 tt -99.34 -21.94 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -98.09 -22.45 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 133.07 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.83 31.32 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.03 -161.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.77 143.39 51.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -165.92 -179.17 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.0 p -154.68 176.46 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 59.14 -176.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 73.4 m -56.23 155.53 12.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.692 0.758 . . . . 0.0 110.799 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.92 37.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 104.32 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 167.08 47.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 71.1 m -111.34 33.01 4.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 77.65 22.98 68.4 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -70.74 -27.0 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.7 mm? -90.74 -19.19 23.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.83 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.25 -23.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.59 -59.01 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.8 99.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.83 -50.48 43.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 545' ' ' VAL . 60.6 t -77.04 -53.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.85 -60.62 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.57 -49.24 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.12 -36.26 43.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 541' ' ' VAL . 97.1 t -68.95 -39.59 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.977 HG22 HG22 ' A' ' 546' ' ' VAL . 19.4 t -58.46 -49.67 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.77 -46.85 86.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.646 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -58.88 -39.17 80.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.633 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.5 tt -61.21 -39.68 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.88 -59.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.63 -37.7 51.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.82 -75.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.17 5.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.5 t -49.84 -39.41 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.659 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -52.27 -57.12 14.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.73 -16.72 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.4 -18.75 52.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.659 HG22 ' O ' ' B' ' 555' ' ' GLY . 1.4 tt -80.81 -22.45 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -87.32 -16.96 33.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -51.49 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -110.6 35.0 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.94 -165.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 28.1 mttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -112.07 139.04 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -137.18 139.67 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 43.3 p -149.68 120.44 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 122.77 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 529' ' ' PRO . 54.6 p -54.77 155.33 8.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 528' ' ' SER . 54.5 Cg_endo -69.69 91.75 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -153.59 106.38 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 536' ' ' ALA . . . -117.59 -87.0 1.2 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 59.9 p -173.4 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.884 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -139.48 -119.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -88.41 -16.36 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.2 mm? -71.63 -20.59 61.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.43 ' HB2' ' HA3' ' A' ' 531' ' ' GLY . . . -65.66 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.049 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.06 -23.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.65 -59.71 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.87 97.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.543 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.47 -50.5 41.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 545' ' ' VAL . 58.1 t -76.49 -54.46 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.72 -61.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.173 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.55 -49.47 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.16 -35.4 41.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 541' ' ' VAL . 84.9 t -69.27 -40.15 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.899 0.38 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' B' ' 546' ' ' VAL . 20.2 t -57.5 -54.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.73 -47.78 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -57.26 -37.69 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.7 tt -62.15 -38.79 90.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 90.0 t -61.64 -55.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.24 -38.31 51.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.66 -72.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.52 -57.87 12.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.489 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.83 -14.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.427 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -73.02 -48.94 18.29 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.44 -35.48 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.06 -18.21 56.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 555' ' ' GLY . 4.1 tt -89.7 -29.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -107.73 46.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -90.54 -25.67 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -106.43 -22.59 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 39.54 39.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -75.14 135.83 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.89 164.22 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 3.9 p -152.58 62.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 4.5 mt 55.66 44.36 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 23.1 p -129.2 154.65 80.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -16.03 37.51 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.82 105.06 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.55 18.97 34.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 11.8 m -142.31 65.16 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.389 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 164.33 46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -81.74 -25.77 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.448 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.9 mm? -82.69 -20.57 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.03 79.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.5 t -54.34 -24.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -59.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.83 -42.2 98.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -52.02 -50.69 44.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.735 ' O ' HG23 ' B' ' 545' ' ' VAL . 61.4 t -76.67 -54.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.44 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.82 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.95 -49.2 76.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.83 -36.08 49.06 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.553 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 541' ' ' VAL . 89.4 t -68.34 -39.44 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.987 HG22 HG22 ' A' ' 546' ' ' VAL . 18.5 t -58.46 -53.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.93 -46.63 78.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.659 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -59.14 -37.43 77.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.7 tt -61.51 -40.16 93.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.06 -59.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.69 -35.69 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.59 -75.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -53.32 -59.51 9.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.23 -27.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.61 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -76.08 -23.68 70.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.498 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -92.48 -23.47 19.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -76.42 -2.95 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.61 HG22 ' O ' ' B' ' 555' ' ' GLY . 12.9 tt -90.89 -18.3 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -137.73 9.06 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.771 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 103.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 73.13 -61.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.13 155.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mttp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.43 117.82 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -130.83 -172.31 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 73.3 p -142.36 118.73 10.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.63 161.87 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 31.5 p -97.84 156.1 36.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.17 56.57 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.407 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.55 104.06 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.05 134.09 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 72.9 m -114.47 -45.19 3.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -159.01 -116.87 0.47 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.532 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -81.5 -22.97 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.1 mm? -72.13 -19.9 61.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.74 78.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -23.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.25 -59.7 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.84 -42.54 98.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.78 -50.19 44.59 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 545' ' ' VAL . 63.0 t -76.69 -54.34 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.8 -61.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.019 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.69 -49.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.18 -37.14 46.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 541' ' ' VAL . 87.9 t -67.75 -39.77 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 546' ' ' VAL . 19.9 t -58.14 -52.03 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 56.2 mt -56.78 -45.05 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -60.8 -38.08 84.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.6 tt -61.08 -39.35 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.88 -60.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 551' ' ' LEU . 4.3 mm? -52.38 -29.73 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.29 -74.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.5 50.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.79 -35.66 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -73.44 -19.56 79.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -95.62 -29.56 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.22 -12.4 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.8 tt -103.5 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -133.4 45.4 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -149.9 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.08 136.16 15.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -121.44 114.02 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 526' ' ' THR . 0.0 OUTLIER -175.12 178.64 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 525' ' ' GLN . 3.1 p -155.46 138.95 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 21.3 mt -81.73 -179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 7.7 p -120.03 85.71 35.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -179.8 3.17 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -140.99 -163.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -98.47 103.6 2.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.419 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 86.1 p -157.31 46.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.965 0.412 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 88.04 47.26 4.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.554 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.08 -26.22 56.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.446 ' N ' HD22 ' B' ' 535' ' ' LEU . 2.8 mm? -79.18 -20.5 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.15 79.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 22.7 t -54.42 -24.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.25 -59.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -59.75 -42.32 97.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.89 -50.86 42.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.405 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 545' ' ' VAL . 58.1 t -76.67 -53.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . . . . -49.76 -60.7 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.0 -49.5 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.29 -35.53 43.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 541' ' ' VAL . 92.9 t -68.7 -41.28 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 546' ' ' VAL . 21.5 t -55.9 -53.18 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.78 -47.78 79.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.663 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.5 tm? -57.09 -38.16 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.643 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -62.0 -38.92 90.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.22 -56.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.14 -39.44 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.0 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.06 -57.87 11.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.83 -15.02 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.457 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -72.48 -48.57 23.11 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -95.2 -26.35 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -72.62 -8.56 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.457 HG22 ' O ' ' B' ' 555' ' ' GLY . 17.0 tt -97.14 -20.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -98.95 -25.29 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 135.54 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 28.8 mmt-85 56.23 27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.09 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -91.82 133.47 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -141.6 -170.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 82.1 p -146.09 41.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.4 mt 58.32 -175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 7.9 p -76.7 156.78 82.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.35 14.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.389 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.73 100.11 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.443 ' HA2' HD12 ' B' ' 535' ' ' LEU . . . -72.71 -130.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 88.6 p -134.61 -51.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -141.71 -119.52 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -66.17 -25.5 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 535' ' ' LEU . 3.0 mm? -75.36 -20.21 59.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.61 81.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 22.1 t -55.05 -23.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.09 -59.2 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.4 -42.87 99.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.58 -49.82 44.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 545' ' ' VAL . 41.6 t -77.21 -54.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 546' ' ' VAL . . . -49.93 -60.86 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.94 -48.75 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.09 -36.18 43.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 541' ' ' VAL . 93.6 t -68.98 -41.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' B' ' 546' ' ' VAL . 21.6 t -55.62 -52.36 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.41 -48.16 79.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 548' ' ' LEU . 1.5 tm? -58.16 -38.28 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 549' ' ' LEU . 4.5 tt -60.25 -40.2 89.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.79 -58.02 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.46 -39.88 58.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.74 -72.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -52.22 -58.51 10.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.418 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.69 -16.29 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.9 0.381 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 558' ' ' ILE . . . -71.12 -50.58 21.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -92.79 -27.76 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.6 -7.63 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 555' ' ' GLY . 1.7 tt -104.11 -22.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -141.86 45.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -25.16 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -150.84 49.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 136.28 18.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -122.71 127.14 48.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -138.1 137.33 37.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 5.5 p -151.26 96.54 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.44 33.12 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 13.9 m -132.69 153.78 81.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 144.75 54.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.585 2.19 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -144.17 -163.34 1.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . 64.01 -118.19 12.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 69.5 m -131.07 -58.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -149.95 -119.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -89.88 -14.23 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.443 HD12 ' HA2' ' A' ' 531' ' ' GLY . 2.8 mm? -76.35 -19.92 57.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.77 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.82 -23.82 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.42 -59.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -60.85 -41.83 99.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.96 41.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . 0.729 ' O ' HG23 ' B' ' 545' ' ' VAL . 48.4 t -76.91 -53.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -49.73 -60.49 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.36 -49.54 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -52.04 -36.65 43.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 541' ' ' VAL . 96.7 t -68.16 -40.43 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.946 HG22 HG22 ' A' ' 546' ' ' VAL . 21.2 t -56.97 -50.08 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.56 -46.39 86.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . 0.649 ' O ' HD13 ' B' ' 548' ' ' LEU . 1.4 tm? -59.35 -38.75 81.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.636 ' O ' HD23 ' B' ' 549' ' ' LEU . 4.6 tt -60.71 -39.74 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.78 -60.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.211 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.81 -40.67 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -61.05 -74.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -51.99 -64.37 4.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.4 t -49.74 -38.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . 0.657 ' O ' HG22 ' B' ' 558' ' ' ILE . . . -52.04 -54.58 25.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.408 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -83.87 -16.24 45.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.78 -14.56 61.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 555' ' ' GLY . 2.0 tt -81.66 -30.57 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -128.01 41.57 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.91 127.35 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 56.33 24.17 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.85 -164.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 115.723 -2.084 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -86.11 158.18 19.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 121.629 2.013 . . . . 0.0 112.285 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -66.16 150.04 49.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.356 2.662 . . . . 0.0 106.043 -175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 11.8 p -100.1 117.16 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.335 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 33.2 tp -113.47 103.34 11.18 Favored 'General case' 0 C--N 1.326 -0.414 1 C-N-CA 132.228 4.211 . . . . 0.0 107.901 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . 0.257 9.9 t -74.79 133.89 75.88 Favored Pre-proline 0 N--CA 1.446 -0.649 0 O-C-N 127.935 3.272 . . . . 0.0 104.79 166.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -67.7 167.76 20.23 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 N-CA-C 115.292 1.228 . . . . 0.0 115.292 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.52 130.34 41.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 128.353 3.93 . . . . 0.0 108.925 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.38 96.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 106.681 -2.568 . . . . 0.0 106.681 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 97.4 p -92.82 -22.86 19.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . 111.93 -12.34 27.05 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 113.006 -1.906 . . . . 0.0 113.99 -172.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -46.72 -31.99 3.3 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.836 3.254 . . . . 0.0 116.663 175.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.29 -7.98 28.06 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 117.204 -3.435 . . . . 0.0 110.677 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -66.09 -35.89 81.73 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.48 1.133 . . . . 0.0 111.851 173.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 537' ' ' VAL . 55.6 t -52.49 -36.55 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 115.451 -2.214 . . . . 0.0 113.663 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.8 mt -49.6 -37.35 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 170.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -72.32 -22.39 78.92 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 116.164 1.226 . . . . 0.0 116.164 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.31 -53.86 7.32 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 124.554 1.073 . . . . 0.0 114.218 162.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.12 -57.47 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 128.661 2.785 . . . . 0.0 109.593 -170.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.15 67.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 123.033 2.651 . . . . 0.0 111.124 -171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.47 -21.39 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 O-C-N 126.647 2.467 . . . . 0.0 107.756 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -77.43 -22.68 69.7 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.448 1.023 . . . . 0.0 112.545 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.0 t -76.37 -32.93 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 118.65 1.225 . . . . 0.0 112.142 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.64 -42.47 76.57 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-O 125.714 2.673 . . . . 0.0 115.915 164.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -31.75 71.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 112.471 -2.15 . . . . 0.0 108.616 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 -48.39 35.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 121.288 1.858 . . . . 0.0 110.891 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.47 -24.13 66.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.31 -86.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 159.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 26.8 mt -51.54 -52.82 43.95 Favored 'General case' 0 N--CA 1.45 -0.446 1 C-N-CA 131.97 4.108 . . . . 0.0 117.632 -160.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.6 80.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 128.186 2.594 . . . . 0.0 114.417 168.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -64.73 -66.79 2.3 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 127.33 2.395 . . . . 0.0 112.597 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 1.2 p -52.87 -25.39 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 111.89 -2.155 . . . . 0.0 113.71 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -90.58 -19.15 45.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-O 113.589 -3.895 . . . . 0.0 110.66 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -77.24 -36.18 54.77 Favored 'General case' 0 N--CA 1.445 -0.708 1 CA-C-N 125.411 4.606 . . . . 0.0 112.875 174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -79.0 9.19 4.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 173.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . 0.462 16.0 tt -130.38 -1.83 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 1 C-N-CA 132.466 4.306 . . . . 0.0 112.178 175.54 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -116.76 59.82 0.75 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 130.288 3.435 . . . . 0.0 108.702 170.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . 0.25 10.4 mtm180 -130.62 177.84 7.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.421 1.888 . . . . 0.0 106.058 161.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -92.5 -37.32 12.58 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 128.384 2.673 . . . . 0.0 109.055 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -98.6 75.38 2.17 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 169.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.8 -3.062 . . . . 0.0 114.598 -179.477 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -155.11 175.93 13.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . 0.302 4.6 pp0? -142.48 -179.59 6.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.859 0.863 . . . . 0.0 112.578 170.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 81.7 p -141.3 -3.73 1.18 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.88 1.672 . . . . 0.0 112.305 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.1 -39.6 82.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.376 1.87 . . . . 0.0 109.68 -172.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 12.7 p -140.18 126.74 12.12 Favored Pre-proline 0 N--CA 1.445 -0.707 0 C-N-CA 126.515 1.926 . . . . 0.0 113.557 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -69.39 -174.46 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 CA-C-O 126.894 2.789 . . . . 0.0 114.907 -162.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -81.83 105.14 12.72 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 116.919 -3.613 . . . . 0.0 110.061 172.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -143.13 -164.56 10.28 Favored Glycine 0 C--N 1.344 1.027 1 O-C-N 129.815 4.447 . . . . 0.0 107.55 163.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . 0.551 55.5 p -139.51 22.0 2.53 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -175.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . 129.82 172.93 13.25 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 121.32 1.873 . . . . 0.0 109.176 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -116.24 12.53 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 129.246 3.018 . . . . 0.0 116.024 -165.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.2 -6.61 16.3 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.894 1.678 . . . . 0.0 114.295 170.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.61 40.38 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . 0.41 HG22 ' H ' ' B' ' 537' ' ' VAL . 15.7 m -55.11 -26.93 18.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 113.683 -1.598 . . . . 0.0 113.026 171.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.56 -34.23 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 129.626 3.17 . . . . 0.0 111.073 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -107.8 8.42 36.76 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 111.965 -2.38 . . . . 0.0 111.341 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -99.37 -31.92 5.96 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 121.583 2.692 . . . . 0.0 106.778 166.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.44 -73.0 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 128.812 2.845 . . . . 0.0 111.709 163.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.67 -43.31 72.79 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -174.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.3 -17.23 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 116.942 -1.504 . . . . 0.0 110.85 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -76.45 -35.46 41.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-O 114.489 -3.395 . . . . 0.0 112.592 170.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 10.5 t -57.1 -46.27 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 114.185 -2.817 . . . . 0.0 107.515 167.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . 0.384 37.5 t -46.29 -46.07 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 2 CA-C-N 127.822 4.828 . . . . 0.0 111.291 167.704 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.411 ' O ' HD13 ' B' ' 547' ' ' LEU . 0.4 OUTLIER -61.65 -44.96 95.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 122.007 2.185 . . . . 0.0 112.589 176.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.81 -41.62 64.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 116.919 -1.515 . . . . 0.0 108.83 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.69 -46.75 86.71 Favored 'General case' 0 N--CA 1.45 -0.437 1 C-N-CA 132.422 4.289 . . . . 0.0 111.204 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.92 -45.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 51.9 mt -56.16 -30.59 62.42 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.17 64.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 126.934 2.093 . . . . 0.0 111.025 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' B' ' 557' ' ' PHE . . . -72.99 -52.69 8.7 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 129.527 3.441 . . . . 0.0 115.234 170.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.88 -37.9 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-O 113.805 -2.998 . . . . 0.0 107.768 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -46.08 -56.75 6.67 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 127.125 2.766 . . . . 0.0 116.086 170.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -74.83 -26.03 59.42 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.206 1.803 . . . . 0.0 111.868 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' B' ' 553' ' ' GLY . 0.7 OUTLIER -76.93 -27.82 55.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . 0.307 38.7 mt -48.82 -50.56 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 131.562 3.945 . . . . 0.0 108.5 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -154.1 97.81 2.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.995 -1.478 . . . . 0.0 108.84 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -79.88 -5.57 55.77 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 122.317 2.326 . . . . 0.0 111.857 -166.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . . . . . . . . 0.571 26.2 mtm180 95.39 -47.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 2 C-N-CA 133.933 4.893 . . . . 0.0 108.479 -170.578 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . 0.334 65.4 mtp85 -83.19 135.8 34.65 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 111.023 -2.808 . . . . 0.0 107.731 172.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . 0.285 19.2 pttm . . . . . 0 C--O 1.246 0.89 0 C-N-CA 127.682 2.393 . . . . 0.0 111.912 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.579 0.704 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -80.72 106.51 12.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.644 3.177 . . . . 0.0 114.075 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -109.74 148.0 32.19 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . 0.338 44.2 p -139.97 68.11 1.37 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 130.561 3.544 . . . . 0.0 104.023 174.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.7 137.53 32.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 130.011 3.324 . . . . 0.0 109.383 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 58.1 m -77.75 160.56 74.16 Favored Pre-proline 0 N--CA 1.449 -0.512 0 C-N-CA 127.92 2.488 . . . . 0.0 108.881 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -82.57 166.54 15.56 Favored 'Trans proline' 0 N--CA 1.449 -1.112 1 C-N-CA 125.709 4.273 . . . . 0.0 110.607 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -69.8 168.14 15.73 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 119.286 -2.134 . . . . 0.0 106.443 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 133.38 161.51 9.8 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 106.571 -2.612 . . . . 0.0 106.571 164.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' SER . . . . . . . . . . . . . 27.6 t -140.66 122.98 15.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.378 1.471 . . . . 0.0 111.657 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . -114.24 140.18 16.15 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 127.375 2.417 . . . . 0.0 111.309 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -99.31 -18.39 17.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 115.779 -2.058 . . . . 0.0 112.669 161.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.37 3.59 5.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.394 2.278 . . . . 0.0 113.385 160.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.88 73.08 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.931 2.093 . . . . 0.0 110.822 159.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -33.01 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 O-C-N 116.313 -3.992 . . . . 0.0 111.379 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.14 -49.53 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 114.221 -2.799 . . . . 0.0 111.441 165.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.58 -33.76 85.52 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 116.523 -2.265 . . . . 0.0 109.001 -163.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.84 -24.66 59.66 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 117.699 -2.191 . . . . 0.0 114.225 177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.78 -58.58 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 124.542 2.115 . . . . 0.0 109.011 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . 0.262 . . -63.99 -43.96 94.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 113.954 -2.927 . . . . 0.0 113.3 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' VAL . . . . . . . . . . . . . 80.0 t -84.11 -16.99 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 122.478 2.399 . . . . 0.0 108.179 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -75.04 -28.85 61.62 Favored Glycine 0 C--N 1.337 0.606 0 O-C-N 118.836 -2.415 . . . . 0.0 113.664 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . 0.322 39.1 t -60.28 -47.92 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 120.329 -1.689 . . . . 0.0 111.796 167.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.37 -48.94 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 C-N-CA 128.043 2.537 . . . . 0.0 110.249 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 33.7 tp -68.72 -58.7 3.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 128.919 2.888 . . . . 0.0 111.262 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . . . . . . . . 0.262 19.8 mt -50.34 -28.55 8.14 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.48 1.912 . . . . 0.0 115.159 164.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.1 -39.86 60.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 120.928 1.695 . . . . 0.0 111.181 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 63.6 t -82.57 -35.0 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.18 -27.64 67.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 120.57 1.532 . . . . 0.0 111.937 169.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.0 -30.06 70.54 Favored 'General case' 0 CA--C 1.519 -0.247 0 O-C-N 118.623 -2.548 . . . . 0.0 115.819 166.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -90.0 -29.16 15.98 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.528 1.768 . . . . 0.0 111.88 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.57 -18.55 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 O-C-N 119.106 -2.408 . . . . 0.0 108.658 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -94.68 -1.46 63.74 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 115.199 -3.0 . . . . 0.0 106.959 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -109.22 -53.94 2.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.99 1.895 . . . . 0.0 107.406 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.66 35.02 0.12 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 43.0 pt -122.6 -22.81 2.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 126.885 2.074 . . . . 0.0 114.999 162.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -148.86 95.85 2.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 120.418 -1.426 . . . . 0.0 107.268 -170.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -126.92 118.33 24.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 110.083 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -86.93 -24.16 24.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 127.477 2.311 . . . . 0.0 112.767 170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -84.48 151.71 24.44 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.756 150.471 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 523' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 524' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.49 5.66 0.46 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 112.725 -3.512 . . . . 0.0 112.202 168.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -113.55 162.79 15.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 125.904 3.956 . . . . 0.0 109.618 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 526' ' ' THR . . . . . . . . . . . . . 63.0 p -135.06 151.7 51.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.09 52.97 0.88 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.531 3.132 . . . . 0.0 106.098 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' SER . . . . . . . . . . . . . 29.7 p -73.59 146.35 85.87 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.73 124.32 8.08 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 123.646 2.897 . . . . 0.0 108.758 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -90.92 127.18 36.29 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 127.821 2.449 . . . . 0.0 111.11 154.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' GLY . . . . . . . . . . . . . . . -151.18 114.74 0.66 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-O 116.062 -2.521 . . . . 0.0 109.18 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' SER . . . . . . . . . . . . . 94.7 p -148.72 -1.81 0.5 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 127.194 3.378 . . . . 0.0 109.845 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' GLY . . . . . . . . . . . . . . . -125.55 37.49 2.5 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.482 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.08 -28.41 62.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 117.085 -1.436 . . . . 0.0 113.616 -170.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.37 -28.34 9.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' ALA . . . . . . . . . . . . . . . -54.2 -19.7 5.62 Favored 'General case' 0 N--CA 1.45 -0.47 1 O-C-N 116.141 -4.099 . . . . 0.0 118.348 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.77 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 O-C-N 117.149 -3.469 . . . . 0.0 113.355 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.49 -29.35 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 127.144 2.178 . . . . 0.0 110.927 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' GLY . . . . . . . . . . . . . . . -84.63 -4.92 87.19 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 130.093 3.711 . . . . 0.0 111.855 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' GLY . . . . . . . . . . . . . . . -114.56 -50.24 0.49 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 108.666 -1.773 . . . . 0.0 108.666 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.87 -50.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 118.782 -2.599 . . . . 0.0 117.86 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' ALA . . . . . 0.503 ' O ' HG23 ' B' ' 546' ' ' VAL . . . -86.59 -36.48 18.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 116.739 -3.725 . . . . 0.0 111.711 -170.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' VAL . . . . . . . . . . . . . 12.5 t -65.71 -26.1 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 165.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' GLY . . . . . . . . . . . . . . . -83.32 -40.18 9.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 107.17 -2.372 . . . . 0.0 107.17 -175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 7.4 t -59.61 -30.95 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.893 167.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 542' ' ' ALA . 40.3 t -65.21 -45.85 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-O 114.572 -2.632 . . . . 0.0 111.363 170.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -51.49 68.94 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 128.191 2.597 . . . . 0.0 109.99 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.75 -47.55 85.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 118.373 -2.704 . . . . 0.0 114.772 172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.03 -39.67 78.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 120.516 1.507 . . . . 0.0 113.996 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' VAL . . . . . . . . . . . . . 3.2 t -73.71 -34.78 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-O 116.513 -1.708 . . . . 0.0 107.731 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.04 -27.43 43.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 123.783 2.992 . . . . 0.0 110.824 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.67 -33.6 76.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 114.912 -2.471 . . . . 0.0 113.629 168.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' GLY . . . . . . . . . . . . . . . -76.63 -49.73 7.76 Favored Glycine 0 CA--C 1.524 0.612 1 C-N-CA 131.763 4.506 . . . . 0.0 110.487 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.77 -39.89 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.212 -2.346 . . . . 0.0 106.556 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.6 -32.94 49.04 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 118.606 -2.559 . . . . 0.0 107.452 -168.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -72.14 -45.77 59.2 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 118.658 1.229 . . . . 0.0 109.77 171.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' PHE . . . . . . . . . . . . 0.268 23.3 t80 -61.31 -46.94 88.2 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 130.436 3.494 . . . . 0.0 114.375 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.74 -39.75 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 117.997 -1.481 . . . . 0.0 114.616 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 561' ' ' ARG . 34.7 t-80 -60.63 -47.96 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 128.855 2.862 . . . . 0.0 111.569 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.77 24.97 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.83 1.652 . . . . 0.0 113.905 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' B' ' 559' ' ' HIS . 35.0 mtp180 -142.99 8.33 1.66 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 131.666 3.987 . . . . 0.0 107.398 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.06 1.37 48.05 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 118.76 2.874 . . . . 0.0 118.76 171.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 563' ' ' LYS . . . . . . . . . . . . . 22.3 pttt . . . . . 0 C--O 1.249 1.064 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -174.742 . . . . . . . . 0 0 . 1 stop_ save_