data_2k1l_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 2k1l _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 ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.701 0.762 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.05 22.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -48.99 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -151.47 78.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 13.8 t 51.66 88.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -134.65 -74.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 103.72 110.9 3.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.547 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.64 178.73 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.0 p -147.63 167.18 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.71 -15.6 62.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.2 14.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.44 22.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 11.92 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 151.77 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.24 24.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -87.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -160.4 23.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.55 -37.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -48.26 -70.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -125.73 19.71 6.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.525 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.12 145.06 28.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -147.76 163.05 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.33 -14.75 55.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.8 16.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -126.81 -39.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.53 -20.38 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.93 22.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 12.4 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 147.46 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.675 0.75 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 168.13 22.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.7 m -138.18 -167.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 28.9 t -73.98 75.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 165.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -163.5 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.14 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 41.9 p -148.02 166.03 28.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.92 -15.42 60.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.01 15.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.515 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.59 -64.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.0 t -158.34 23.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.9 -26.78 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.6 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.716 0.769 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.1 22.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.64 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 3.5 t -138.52 36.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 8.3 t 63.31 62.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -103.52 -169.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 124.3 29.75 1.07 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.99 145.01 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.8 p -147.94 163.03 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.229 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.45 -14.7 55.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.92 24.69 16.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -126.97 -38.43 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.46 -17.9 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -64.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.62 22.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 13.43 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 156.62 18.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.646 0.736 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.96 22.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -48.78 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 11.1 m -138.66 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 50.9 m -71.89 84.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -84.46 -178.74 6.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 162.4 104.79 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.99 145.83 25.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.4 163.37 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.86 -14.38 55.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.43 18.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -64.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.58 22.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 13.72 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 156.84 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.604 0.716 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.729 2.286 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -153.45 76.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 10.2 p 51.31 30.81 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -89.53 -75.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 128.73 -18.9 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.63 145.99 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.3 163.19 37.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.62 -14.49 54.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 24.56 17.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.411 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -127.94 -39.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.59 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -64.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.95 22.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -25.51 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -29.63 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.689 0.757 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 168.15 22.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.57 25.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.25 -46.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 -51.09 -71.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 100.04 -20.46 48.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.54 178.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.5 p -146.82 167.91 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.27 -15.64 63.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.531 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.07 25.17 15.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -62.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.3 t -154.51 19.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 14.68 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 156.83 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.694 0.759 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.14 22.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -150.37 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 15.5 t 51.97 30.13 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -96.49 176.69 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -113.53 17.9 20.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.03 145.71 25.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.27 163.21 37.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.66 -14.48 55.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.89 24.37 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -127.69 -38.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.13 -18.41 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -63.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -158.22 22.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.09 14.44 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 156.85 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.636 0.731 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 166.69 26.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -52.03 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -171.52 120.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.53 -55.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.5 171.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -140.93 105.81 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.73 157.91 35.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 44.2 p -148.59 169.27 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.5 66.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.76 16.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 22.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.34 12.93 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 159.62 10.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.085 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.636 0.732 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 167.08 25.6 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' B' ' 541' ' ' ARG . 53.8 Cg_endo -69.78 -160.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' B' ' 540' ' ' SER . 4.2 m -50.74 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' SER . . . . . 0.467 ' C ' ' O ' ' B' ' 539' ' ' VAL . 15.0 p 32.62 82.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . 0.472 ' HB2' ' HG2' ' B' ' 538' ' ' PRO . 27.0 mmt180 -135.28 -77.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 117.36 -17.61 12.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.71 146.02 24.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -148.63 163.5 37.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.29 55.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.19 24.51 18.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -127.67 -39.05 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.77 -18.34 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.5 23.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -107.6 -24.58 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.76 147.91 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.735 0.778 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.07 19.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.613 2.209 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -10.86 29.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.223 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.4 t 70.08 29.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 71.1 m -155.16 21.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -87.79 162.22 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -151.15 18.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.03 177.43 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.874 0.368 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 29.8 p -127.18 166.43 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.41 -3.04 90.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.5 16.21 60.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -64.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.91 22.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -25.13 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -38.15 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.06 22.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.387 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -48.83 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -152.52 78.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.8 t 51.53 78.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -119.36 -31.64 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 64.42 101.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.78 145.58 25.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.05 163.21 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.6 -14.52 55.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.573 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.54 17.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -127.74 -39.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.62 -18.39 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.38 23.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -107.14 -26.22 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.63 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.19 22.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.8 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.41 35.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.7 t 61.0 72.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.77 18.89 7.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 178.81 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.8 p -144.63 168.49 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.44 -15.9 64.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 25.15 14.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -64.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -159.48 23.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -106.12 -30.27 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 156.62 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 168.04 22.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.4 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -150.36 79.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 6.8 p 51.88 30.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -95.61 177.57 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 173.04 107.43 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.81 145.64 25.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.25 163.23 37.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.68 -14.49 55.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.04 24.5 18.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -127.64 -39.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -69.47 -11.63 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.47 -63.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.48 51.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -25.89 10.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -40.45 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.679 0.752 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 166.96 25.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.91 -54.21 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -170.81 24.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.1 t 174.88 -79.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 53.25 -175.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -128.24 101.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.53 145.67 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.1 p -148.29 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.7 -14.48 55.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.56 17.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.23 22.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -25.1 10.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 156.64 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 168.06 22.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.218 . . . . 0.0 112.381 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.03 69.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 21.7 t 50.28 86.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -169.44 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 155.12 75.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.58 -79.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.373 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 29.9 p -125.09 166.04 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.19 90.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.41 16.27 60.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -114.01 -39.6 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.44 -20.15 62.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 46.8 t -156.64 21.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.76 13.33 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.648 0.737 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.06 32.27 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -57.22 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -173.72 29.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 1.4 t -165.27 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -178.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 157.15 105.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.11 178.36 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.61 -167.56 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -73.86 -17.94 79.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.01 35.1 4.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.99 22.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.12 -26.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 156.82 19.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 167.62 24.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 14.5 m -148.36 -169.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.75 120.16 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.76 -29.0 4.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.77 -41.98 2.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.11 143.83 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.8 p -146.95 163.65 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.76 -14.6 55.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.55 17.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -125.05 -37.61 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.44 -18.36 63.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.03 21.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.88 11.84 20.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -26.29 66.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.7 0.762 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.16 22.41 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -48.65 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.4 t -139.95 35.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 6.5 t 61.17 73.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -108.91 -28.13 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.71 25.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.96 179.23 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.2 p -142.61 167.24 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.28 -15.9 61.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 25.26 14.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -63.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -158.44 23.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -107.61 -24.42 11.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -26.18 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.72 20.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -163.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.34 3.11 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.8 m -123.74 20.46 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 127.03 35.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.41 23.02 57.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.2 146.64 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -148.63 163.15 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.56 -14.73 55.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 24.93 15.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -128.72 -42.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -55.68 -20.62 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -68.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.8 t 179.75 -28.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 60.0 18.52 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -42.98 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.677 0.751 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 167.56 24.19 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -53.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.617 2.212 . . . . 0.0 112.324 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -171.02 25.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.26 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 48.88 -168.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.0 -172.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.42 162.46 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.42 -13.66 55.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.94 23.92 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.547 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.2 m -158.26 22.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 12.51 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.14 137.53 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 168.21 22.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.707 2.272 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.79 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.749 2.299 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.8 -168.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 46.2 t -75.65 78.98 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -84.32 -74.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 107.78 18.22 10.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -178.02 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -149.02 163.21 38.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.54 -14.58 55.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.18 24.75 17.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -128.84 -42.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -57.9 -19.32 28.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -67.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.25 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 58.07 20.45 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 155.08 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.738 0.78 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.89 24.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.0 m -168.93 38.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.84 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -109.97 20.55 26.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.35 144.96 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 35.8 p -148.21 163.32 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.78 -14.56 55.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.98 24.56 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -80.14 -76.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.47 78.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 54.32 24.95 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 155.21 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.689 0.757 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.27 22.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -48.75 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.611 2.207 . . . . 0.0 112.279 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.7 -168.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 5.2 t -68.87 86.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.83 178.89 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -148.84 112.29 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -82.85 -176.19 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.4 p -147.75 162.28 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.09 -13.7 54.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.86 23.9 20.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -125.68 -37.78 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.48 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -63.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.66 23.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -108.11 0.51 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -27.49 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.479 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.535 HG22 ' HB1' ' A' ' 550' ' ' ALA . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.444 HG13 HD13 ' B' ' 556' ' ' LEU . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.573 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 563' ' ' LEU . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.564 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.492 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 556' ' ' LEU . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.415 HG22 ' HD3' ' A' ' 569' ' ' ARG . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.492 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.507 HG13 HD23 ' B' ' 556' ' ' LEU . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.597 ' HG ' HD22 ' B' ' 556' ' ' LEU . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.597 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.503 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.503 HG22 ' HB1' ' A' ' 550' ' ' ALA . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.595 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 566' ' ' LEU . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 567' ' ' VAL . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 562' ' ' LEU . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 563' ' ' LEU . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 567' ' ' VAL . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.51 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 556' ' ' LEU . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.51 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.496 HG22 ' HB1' ' A' ' 550' ' ' ALA . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.415 HG13 HD23 ' B' ' 556' ' ' LEU . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.504 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' B' ' 556' ' ' LEU . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.538 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.425 HG13 HD13 ' A' ' 556' ' ' LEU . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.49 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.618 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.55 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.55 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' A' ' 569' ' ' ARG . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.431 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 563' ' ' LEU . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.488 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 550' ' ' ALA . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 548' ' ' ILE . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.598 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' B' ' 550' ' ' ALA . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.411 HG13 HD13 ' A' ' 556' ' ' LEU . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.469 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.598 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.54 HG22 ' HB1' ' B' ' 550' ' ' ALA . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.477 HG13 HD13 ' A' ' 556' ' ' LEU . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.416 ' H ' HD12 ' B' ' 548' ' ' ILE . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.54 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.458 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.498 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.61 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.539 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.539 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.61 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.419 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 563' ' ' LEU . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.625 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.489 HG22 ' HB1' ' B' ' 550' ' ' ALA . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 557' ' ' LEU . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 553' ' ' PHE . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 563' ' ' LEU . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.625 HG22 ' HB1' ' A' ' 550' ' ' ALA . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 555' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 563' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 567' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.701 0.762 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.05 22.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -48.99 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -151.47 78.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 13.8 t 51.66 88.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -134.65 -74.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 103.72 110.9 3.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.547 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.64 178.73 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.0 p -147.63 167.18 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.71 -15.6 62.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.2 14.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.479 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.44 22.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 11.92 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 151.77 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.24 24.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.545 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.4 Cg_endo -69.8 -87.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.545 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.2 OUTLIER -160.4 23.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.55 -37.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -48.26 -70.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -125.73 19.71 6.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.525 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.0 mm? -100.12 145.06 28.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -147.76 163.05 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.33 -14.75 55.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.8 16.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' B' ' 543' ' ' LEU . 29.4 mt-10 -126.81 -39.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.535 HG22 ' HB1' ' A' ' 550' ' ' ALA . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.444 HG13 HD13 ' B' ' 556' ' ' LEU . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.573 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 563' ' ' LEU . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.53 -20.38 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.93 22.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 12.4 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 147.46 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.675 0.75 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 168.13 22.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.7 m -138.18 -167.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 28.9 t -73.98 75.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 165.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -163.5 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.14 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 41.9 p -148.02 166.03 28.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.92 -15.42 60.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.01 15.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.515 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.564 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.492 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 556' ' ' LEU . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.415 HG22 ' HD3' ' A' ' 569' ' ' ARG . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER -55.59 -64.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.0 t -158.34 23.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.9 -26.78 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.6 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.716 0.769 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.1 22.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.64 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 539' ' ' VAL . 3.5 t -138.52 36.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 8.3 t 63.31 62.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -103.52 -169.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 124.3 29.75 1.07 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.1 mm? -81.99 145.01 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.8 p -147.94 163.03 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.229 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.45 -14.7 55.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.92 24.69 16.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' B' ' 543' ' ' LEU . 29.3 mt-10 -126.97 -38.43 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.492 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.507 HG13 HD23 ' B' ' 556' ' ' LEU . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.597 ' HG ' HD22 ' B' ' 556' ' ' LEU . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.597 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.46 -17.9 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -64.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.62 22.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 13.43 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 156.62 18.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.646 0.736 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.96 22.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -48.78 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 11.1 m -138.66 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 50.9 m -71.89 84.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -84.46 -178.74 6.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 162.4 104.79 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.591 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.5 mm? -95.99 145.83 25.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.4 163.37 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.86 -14.38 55.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.43 18.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' A' ' 543' ' ' LEU . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.503 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -64.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.58 22.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 13.72 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 156.84 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.604 0.716 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.729 2.286 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -153.45 76.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 10.2 p 51.31 30.81 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -89.53 -75.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 128.73 -18.9 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.597 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -94.63 145.99 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.3 163.19 37.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.62 -14.49 54.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 24.56 17.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.411 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.597 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.1 mt-10 -127.94 -39.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.503 HG22 ' HB1' ' A' ' 550' ' ' ALA . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.59 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -64.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.95 22.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -25.51 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -29.63 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.689 0.757 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 168.15 22.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.559 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.8 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.1 OUTLIER -161.57 25.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.25 -46.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 -51.09 -71.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 100.04 -20.46 48.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.54 178.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.5 p -146.82 167.91 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.27 -15.64 63.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.531 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.07 25.17 15.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.595 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 566' ' ' LEU . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 567' ' ' VAL . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 562' ' ' LEU . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 563' ' ' LEU . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -62.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.3 t -154.51 19.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 14.68 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 156.83 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.694 0.759 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.14 22.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -150.37 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 15.5 t 51.97 30.13 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -96.49 176.69 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -113.53 17.9 20.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.587 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -97.03 145.71 25.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.27 163.21 37.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.66 -14.48 55.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.89 24.37 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.587 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.9 mt-10 -127.69 -38.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 567' ' ' VAL . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ILE . . . . . 0.408 HG22 ' HD3' ' B' ' 569' ' ' ARG . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.13 -18.41 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.408 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.2 OUTLIER -54.08 -63.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -158.22 22.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.09 14.44 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 156.85 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.636 0.731 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 166.69 26.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.636 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.2 Cg_endo -69.79 -52.03 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -171.52 120.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.53 -55.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.5 171.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -140.93 105.81 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.73 157.91 35.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 44.2 p -148.59 169.27 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.5 66.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.76 16.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.51 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 556' ' ' LEU . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 22.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.34 12.93 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 159.62 10.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.085 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.636 0.732 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 167.08 25.6 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' B' ' 541' ' ' ARG . 53.8 Cg_endo -69.78 -160.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' B' ' 540' ' ' SER . 4.2 m -50.74 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 540' ' ' SER . . . . . 0.467 ' C ' ' O ' ' B' ' 539' ' ' VAL . 15.0 p 32.62 82.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ARG . . . . . 0.477 ' HB2' ' HG2' ' B' ' 538' ' ' PRO . 27.0 mmt180 -135.28 -77.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 117.36 -17.61 12.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.615 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.6 mm? -91.71 146.02 24.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -148.63 163.5 37.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.29 55.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.19 24.51 18.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.615 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.3 mt-10 -127.67 -39.05 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.51 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.496 HG22 ' HB1' ' A' ' 550' ' ' ALA . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.415 HG13 HD23 ' B' ' 556' ' ' LEU . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.504 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' B' ' 556' ' ' LEU . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.77 -18.34 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.5 23.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -107.6 -24.58 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.76 147.91 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.735 0.778 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.07 19.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.613 2.209 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.407 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.4 Cg_endo -69.84 -10.86 29.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 539' ' ' VAL . 3.4 t 70.08 29.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 71.1 m -155.16 21.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -87.79 162.22 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -151.15 18.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.03 177.43 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.874 0.368 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 29.8 p -127.18 166.43 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.41 -3.04 90.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.5 16.21 60.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.538 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.425 HG13 HD13 ' A' ' 556' ' ' LEU . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -64.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.91 22.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -25.13 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -38.15 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.06 22.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.387 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -48.83 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -152.52 78.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.8 t 51.53 78.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -119.36 -31.64 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 64.42 101.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.587 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -96.78 145.58 25.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.05 163.21 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.6 -14.52 55.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.573 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.54 17.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.587 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.8 mt-10 -127.74 -39.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.49 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.62 -18.39 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.38 23.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -107.14 -26.22 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.63 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.19 22.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.8 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 539' ' ' VAL . 3.5 t -140.41 35.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.7 t 61.0 72.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.77 18.89 7.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 178.81 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.8 p -144.63 168.49 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.44 -15.9 64.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 25.15 14.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.618 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.55 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.55 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' A' ' 569' ' ' ARG . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER -55.32 -64.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -159.48 23.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -106.12 -30.27 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 156.62 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 168.04 22.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.4 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -150.36 79.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 6.8 p 51.88 30.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -95.61 177.57 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 173.04 107.43 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.593 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -95.81 145.64 25.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.25 163.23 37.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.68 -14.49 55.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.04 24.5 18.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.593 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.9 mt-10 -127.64 -39.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.431 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 563' ' ' LEU . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -69.47 -11.63 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.47 -63.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.48 51.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -25.89 10.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -40.45 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.679 0.752 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 166.96 25.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.617 ' O ' HG13 ' A' ' 539' ' ' VAL . 52.6 Cg_endo -69.91 -54.21 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -170.81 24.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.1 t 174.88 -79.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 53.25 -175.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -128.24 101.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.591 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.5 mm? -95.53 145.67 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.1 p -148.29 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.7 -14.48 55.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.56 17.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' A' ' 543' ' ' LEU . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.488 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.23 22.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -25.1 10.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 156.64 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 168.06 22.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.218 . . . . 0.0 112.381 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.03 69.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 21.7 t 50.28 86.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -169.44 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 155.12 75.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.58 -79.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.373 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 29.9 p -125.09 166.04 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.19 90.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.41 16.27 60.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -114.01 -39.6 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 550' ' ' ALA . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.44 -20.15 62.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 46.8 t -156.64 21.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.76 13.33 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.648 0.737 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.06 32.27 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 539' ' ' VAL . 54.4 Cg_endo -69.7 -57.22 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -173.72 29.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 1.4 t -165.27 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -178.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 157.15 105.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.11 178.36 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.61 -167.56 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -73.86 -17.94 79.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.01 35.1 4.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 548' ' ' ILE . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.598 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' B' ' 550' ' ' ALA . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.411 HG13 HD13 ' A' ' 556' ' ' LEU . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.469 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.99 22.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.12 -26.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 156.82 19.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 167.62 24.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 14.5 m -148.36 -169.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.75 120.16 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.76 -29.0 4.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.77 -41.98 2.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.11 143.83 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.8 p -146.95 163.65 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.76 -14.6 55.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.55 17.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -125.05 -37.61 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.598 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.44 -18.36 63.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.03 21.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.88 11.84 20.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -26.29 66.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.7 0.762 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.16 22.41 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -48.65 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 539' ' ' VAL . 3.4 t -139.95 35.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 6.5 t 61.17 73.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -108.91 -28.13 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.71 25.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.96 179.23 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.2 p -142.61 167.24 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.28 -15.9 61.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 25.26 14.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.54 HG22 ' HB1' ' B' ' 550' ' ' ALA . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.477 HG13 HD13 ' A' ' 556' ' ' LEU . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -63.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -158.44 23.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -107.61 -24.42 11.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -26.18 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.72 20.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -163.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.45 ' O ' HG12 ' B' ' 539' ' ' VAL . 5.3 t -121.34 3.11 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 540' ' ' SER . . . . . 0.72 ' C ' HD23 ' B' ' 543' ' ' LEU . 1.8 m -123.74 20.46 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ARG . . . . . 0.622 ' N ' HD23 ' B' ' 543' ' ' LEU . 0.0 OUTLIER -87.69 127.03 35.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.41 23.02 57.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.72 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -76.2 146.64 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -148.63 163.15 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.56 -14.73 55.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 24.93 15.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.72 ' OE1' HD13 ' B' ' 543' ' ' LEU . 22.2 mt-10 -128.72 -42.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.416 ' H ' HD12 ' B' ' 548' ' ' ILE . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.54 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.458 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.498 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ILE . . . . . 0.427 HG22 ' HD3' ' B' ' 569' ' ' ARG . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.644 HG13 ' HD3' ' B' ' 571' ' ' ARG . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -55.68 -20.62 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.427 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.1 OUTLIER -60.6 -68.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.8 t 179.75 -28.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' ARG . . . . . 0.644 ' HD3' HG13 ' B' ' 567' ' ' VAL . 19.1 mtm-85 60.0 18.52 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -42.98 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.677 0.751 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 167.56 24.19 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.604 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.82 -53.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.617 2.212 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -171.02 25.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.26 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 48.88 -168.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.0 -172.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.42 162.46 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.42 -13.66 55.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.94 23.92 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.547 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.61 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.539 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.2 m -158.26 22.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 12.51 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.14 137.53 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 168.21 22.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.707 2.272 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.79 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.749 2.299 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.8 -168.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 46.2 t -75.65 78.98 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -84.32 -74.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 107.78 18.22 10.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -178.02 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -149.02 163.21 38.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.54 -14.58 55.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.18 24.75 17.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -128.84 -42.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.539 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.61 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.419 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 563' ' ' LEU . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ILE . . . . . 0.506 HG22 ' HD3' ' B' ' 569' ' ' ARG . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.626 HG13 ' HD3' ' B' ' 571' ' ' ARG . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -57.9 -19.32 28.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.506 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.0 OUTLIER -60.09 -67.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.25 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 571' ' ' ARG . . . . . 0.626 ' HD3' HG13 ' B' ' 567' ' ' VAL . 16.9 mtm-85 58.07 20.45 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 155.08 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.738 0.78 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.558 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.78 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.1 OUTLIER -161.89 24.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.0 m -168.93 38.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.84 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -109.97 20.55 26.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.493 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.2 mm? -90.35 144.96 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 35.8 p -148.21 163.32 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.78 -14.56 55.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.98 24.56 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.493 ' OE1' HD13 ' A' ' 543' ' ' LEU . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.625 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.489 HG22 ' HB1' ' B' ' 550' ' ' ALA . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 557' ' ' LEU . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 553' ' ' PHE . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 563' ' ' LEU . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -80.14 -76.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.47 78.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 54.32 24.95 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 155.21 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.689 0.757 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.27 22.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -48.75 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.611 2.207 . . . . 0.0 112.279 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.7 -168.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 5.2 t -68.87 86.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.83 178.89 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -148.84 112.29 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.471 HD22 ' H ' ' B' ' 543' ' ' LEU . 1.6 mm? -82.85 -176.19 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.4 p -147.75 162.28 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.09 -13.7 54.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.86 23.9 20.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -125.68 -37.78 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.625 HG22 ' HB1' ' A' ' 550' ' ' ALA . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.48 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -63.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.66 23.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -108.11 0.51 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -27.49 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.479 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.535 HG22 ' HB1' ' A' ' 550' ' ' ALA . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.444 HG13 HD13 ' B' ' 556' ' ' LEU . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.573 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 563' ' ' LEU . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.564 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.492 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 556' ' ' LEU . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.415 HG22 ' HD3' ' A' ' 569' ' ' ARG . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.492 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.507 HG13 HD23 ' B' ' 556' ' ' LEU . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.597 ' HG ' HD22 ' B' ' 556' ' ' LEU . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.597 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.503 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.503 HG22 ' HB1' ' A' ' 550' ' ' ALA . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.595 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 566' ' ' LEU . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 567' ' ' VAL . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 562' ' ' LEU . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 563' ' ' LEU . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 567' ' ' VAL . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.51 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 556' ' ' LEU . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.51 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.496 HG22 ' HB1' ' A' ' 550' ' ' ALA . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.415 HG13 HD23 ' B' ' 556' ' ' LEU . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.504 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' B' ' 556' ' ' LEU . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.538 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.425 HG13 HD13 ' A' ' 556' ' ' LEU . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.49 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.618 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.55 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.55 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' A' ' 569' ' ' ARG . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.431 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 563' ' ' LEU . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.488 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 550' ' ' ALA . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 548' ' ' ILE . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.598 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' B' ' 550' ' ' ALA . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.411 HG13 HD13 ' A' ' 556' ' ' LEU . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.469 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.598 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.54 HG22 ' HB1' ' B' ' 550' ' ' ALA . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.477 HG13 HD13 ' A' ' 556' ' ' LEU . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.416 ' H ' HD12 ' B' ' 548' ' ' ILE . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.54 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.458 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.498 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.61 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.539 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.539 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.61 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.419 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 563' ' ' LEU . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.625 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.489 HG22 ' HB1' ' B' ' 550' ' ' ALA . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 557' ' ' LEU . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 553' ' ' PHE . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 563' ' ' LEU . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.625 HG22 ' HB1' ' A' ' 550' ' ' ALA . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 563' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 567' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.701 0.762 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.05 22.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -48.99 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -151.47 78.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 13.8 t 51.66 88.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -134.65 -74.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 103.72 110.9 3.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.547 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.64 178.73 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.0 p -147.63 167.18 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.71 -15.6 62.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.2 14.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.327 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.34 -25.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.3 m -57.27 -30.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.79 -40.63 72.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.479 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.7 t -56.8 -62.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.2 tt -56.75 -35.17 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.85 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.58 77.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.416 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -67.4 -61.88 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -68.26 -53.68 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.67 -27.29 66.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.11 -47.84 28.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.27 -52.03 60.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.61 78.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.87 -58.8 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 47.7 tp -51.71 -58.96 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -51.13 -37.5 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.98 40.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.26 -37.2 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.42 -38.15 76.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.7 t -79.79 -47.41 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.91 -17.82 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.44 22.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 11.92 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 151.77 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.24 24.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.74 2.294 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.545 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.4 Cg_endo -69.8 -87.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.545 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.2 OUTLIER -160.4 23.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.55 -37.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -48.26 -70.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -125.73 19.71 6.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.525 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.422 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.0 mm? -100.12 145.06 28.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -147.76 163.05 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.33 -14.75 55.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.8 16.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.422 ' OE1' HD13 ' B' ' 543' ' ' LEU . 29.4 mt-10 -126.81 -39.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.77 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.34 -30.6 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.59 -31.15 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.535 HG22 ' HB1' ' A' ' 550' ' ' ALA . 93.8 t -64.11 -65.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.444 HG13 HD13 ' B' ' 556' ' ' LEU . 11.1 tt -54.78 -38.64 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.511 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 46.2 t80 -55.2 -64.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.88 -20.06 68.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.2 tp -68.96 -57.92 4.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.573 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.68 -53.47 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.28 -25.38 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.06 -46.74 27.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.47 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.19 58.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.39 -48.18 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 49.2 tp -51.65 -58.85 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -50.97 -37.97 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.26 38.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.75 -37.4 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.85 -37.01 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 563' ' ' LEU . 93.5 t -79.59 -45.55 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.53 -20.38 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.93 22.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 12.4 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 147.46 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.675 0.75 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 168.13 22.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.7 m -138.18 -167.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 28.9 t -73.98 75.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 165.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -163.5 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.14 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.927 0.394 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 41.9 p -148.02 166.03 28.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.92 -15.42 60.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 25.01 15.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.515 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -125.1 -37.11 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.41 -25.66 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 19.2 m -57.97 -30.59 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.564 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.22 -35.07 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.492 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.4 t -59.25 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.6 tt -55.01 -39.75 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.0 -63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.41 -19.21 70.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.4 tp -70.84 -57.85 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 556' ' ' LEU . 4.3 mm? -67.39 -53.06 32.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.46 -27.69 69.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.86 -48.19 50.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.71 -50.68 62.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.86 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.32 -58.2 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.52 -58.94 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.96 -37.73 46.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.66 -54.09 39.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.415 HG22 ' HD3' ' A' ' 569' ' ' ARG . 39.5 mm -65.05 -37.42 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.4 -37.99 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.3 t -79.75 -47.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.03 -17.76 62.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER -55.59 -64.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.0 t -158.34 23.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.9 -26.78 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.6 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.716 0.769 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.1 22.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.369 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.64 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 539' ' ' VAL . 3.5 t -138.52 36.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 8.3 t 63.31 62.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -103.52 -169.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 124.3 29.75 1.07 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.1 mm? -81.99 145.01 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.8 p -147.94 163.03 38.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.229 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.45 -14.7 55.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.92 24.69 16.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' B' ' 543' ' ' LEU . 29.3 mt-10 -126.97 -38.43 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.65 -25.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.65 -30.51 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.492 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.02 -38.73 72.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.0 t -56.99 -63.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.507 HG13 HD23 ' B' ' 556' ' ' LEU . 11.2 tt -57.4 -35.16 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.09 -63.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.73 -21.63 77.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.597 ' HG ' HD22 ' B' ' 556' ' ' LEU . 16.1 tp -67.57 -61.6 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.597 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.4 mm? -68.02 -53.73 23.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.89 -27.17 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.17 -47.37 30.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.72 -52.0 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.59 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.81 -58.75 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 48.4 tp -51.76 -58.81 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.98 -37.8 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.77 -53.82 42.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.6 mm -65.25 -37.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.3 mt -58.41 -38.27 77.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.8 t -79.76 -47.55 21.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.46 -17.9 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -64.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.62 22.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 13.43 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 156.62 18.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.646 0.736 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.96 22.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -48.78 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 11.1 m -138.66 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 50.9 m -71.89 84.04 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -84.46 -178.74 6.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 162.4 104.79 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.591 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.5 mm? -95.99 145.83 25.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.4 163.37 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.86 -14.38 55.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.43 18.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' A' ' 543' ' ' LEU . 24.6 mt-10 -127.68 -38.99 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.89 -24.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.66 -30.48 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.503 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.41 -33.14 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.5 t -63.54 -65.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.52 -38.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -52.99 -63.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.31 -20.47 71.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.588 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.9 tp -69.52 -58.58 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.6 mp -66.7 -53.24 35.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.44 -25.03 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.72 41.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.58 -49.23 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.05 -51.3 69.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.37 -58.28 7.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 28.9 tp -50.99 -59.49 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.9 -37.29 42.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.73 -53.86 41.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.37 -37.32 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.14 -38.41 76.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.4 t -79.67 -47.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.74 -17.7 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -64.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -157.58 22.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 13.72 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 156.84 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.604 0.716 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.729 2.286 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -153.45 76.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 10.2 p 51.31 30.81 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -89.53 -75.22 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 128.73 -18.9 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.597 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -94.63 145.99 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.4 p -148.3 163.19 37.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.62 -14.49 54.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 24.56 17.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.411 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.597 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.1 mt-10 -127.94 -39.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.02 -24.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.57 -30.17 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.82 -38.87 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.503 HG22 ' HB1' ' A' ' 550' ' ' ALA . 97.1 t -57.3 -65.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.1 tt -55.07 -38.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.56 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.23 -18.92 73.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -55.93 11.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.11 -52.38 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.28 -26.93 68.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.53 -48.93 16.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.19 64.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.77 -58.89 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.59 -60.21 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.4 tp -50.78 -36.75 38.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.81 -53.78 42.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.82 -37.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.28 -38.34 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.3 t -79.8 -47.84 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.59 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -64.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.95 22.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -25.51 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -29.63 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.689 0.757 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 168.15 22.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.559 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.8 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.1 OUTLIER -161.57 25.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.25 -46.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 -51.09 -71.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 100.04 -20.46 48.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.54 178.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.5 p -146.82 167.91 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.27 -15.64 63.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.531 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.07 25.17 15.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -125.2 -37.21 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.03 -24.83 34.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.3 -30.53 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.45 -36.01 71.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.595 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.1 t -58.99 -65.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.53 -38.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 45.1 t80 -52.29 -62.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.84 -20.42 70.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.11 -56.48 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.9 mp -69.44 -54.12 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -62.08 -25.3 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.22 -47.52 23.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.538 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.29 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.83 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.7 -56.63 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 566' ' ' LEU . 29.4 tp -53.48 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 567' ' ' VAL . 11.5 tp -49.11 -33.93 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.75 -54.02 36.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.99 -39.72 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 562' ' ' LEU . 3.9 mm? -59.57 -38.79 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 563' ' ' LEU . 92.1 t -79.82 -40.86 21.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.17 -19.34 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -62.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.3 t -154.51 19.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 14.68 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 156.83 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.694 0.759 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.14 22.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.695 2.263 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -150.37 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 15.5 t 51.97 30.13 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -96.49 176.69 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -113.53 17.9 20.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.587 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -97.03 145.71 25.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.27 163.21 37.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.66 -14.48 55.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.89 24.37 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.587 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.9 mt-10 -127.69 -38.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.71 -24.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.5 m -58.73 -30.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.47 -38.98 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.5 t -57.39 -65.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.5 tt -54.75 -38.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.87 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.73 -19.34 71.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -55.68 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.75 -53.23 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.02 -28.41 69.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -50.08 16.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.492 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.23 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.64 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.55 -58.28 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.28 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 567' ' ' VAL . 11.9 tp -49.47 -34.34 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -62.37 -54.89 30.89 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . 0.408 HG22 ' HD3' ' B' ' 569' ' ' ARG . 41.3 mm -61.7 -39.86 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.21 -39.0 77.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.4 t -79.74 -43.88 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.13 -18.41 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.408 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.2 OUTLIER -54.08 -63.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m -158.22 22.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.09 14.44 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 156.85 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.636 0.731 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 166.69 26.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.636 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.2 Cg_endo -69.79 -52.03 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -171.52 120.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.53 -55.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.5 171.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -140.93 105.81 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.73 157.91 35.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 44.2 p -148.59 169.27 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.5 66.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.01 24.76 16.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -124.24 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.48 -25.29 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.6 m -58.78 -30.82 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.07 -38.96 75.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.51 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.0 t -58.82 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 556' ' ' LEU . 11.7 tt -55.9 -33.79 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.63 -64.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.59 -20.86 75.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.2 tp -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -67.31 -53.5 29.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.66 -29.2 67.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.84 -47.7 45.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.86 -50.58 68.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.63 75.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -65.08 -58.32 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.16 -59.0 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.5 tp -50.87 -37.55 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.13 39.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.64 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.99 -37.36 76.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.5 t -79.63 -46.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.34 -20.35 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 22.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.34 12.93 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.68 159.62 10.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.085 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.636 0.732 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 167.08 25.6 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' B' ' 541' ' ' ARG . 53.8 Cg_endo -69.78 -160.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' B' ' 540' ' ' SER . 4.2 m -50.74 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . 0.467 ' C ' ' O ' ' B' ' 539' ' ' VAL . 15.0 p 32.62 82.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . 0.477 ' HB2' ' HG2' ' B' ' 538' ' ' PRO . 27.0 mmt180 -135.28 -77.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 117.36 -17.61 12.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.615 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.6 mm? -91.71 146.02 24.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -148.63 163.5 37.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.29 55.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.19 24.51 18.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.615 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.3 mt-10 -127.67 -39.05 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.91 -24.01 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.53 -29.36 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.51 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.24 -29.7 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.496 HG22 ' HB1' ' A' ' 550' ' ' ALA . 85.3 t -65.55 -65.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.415 HG13 HD23 ' B' ' 556' ' ' LEU . 14.3 tt -55.67 -38.84 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.504 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.5 t80 -53.85 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.56 -18.76 68.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' B' ' 556' ' ' LEU . 14.7 tp -70.17 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' B' ' 555' ' ' LEU . 4.5 mm? -68.68 -53.01 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.52 -27.69 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -70.17 -48.71 37.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.19 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.04 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.55 78.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.61 -58.02 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.5 tp -51.78 -58.91 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 12.6 tp -50.96 -37.88 47.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.76 -53.9 41.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.02 -37.29 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.67 -37.92 77.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 97.5 t -79.72 -46.64 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.77 -18.34 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.5 23.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -107.6 -24.58 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.76 147.91 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.735 0.778 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.07 19.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.613 2.209 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.407 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.4 Cg_endo -69.84 -10.86 29.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 539' ' ' VAL . 3.4 t 70.08 29.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 71.1 m -155.16 21.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -87.79 162.22 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -151.15 18.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.03 177.43 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.874 0.368 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 29.8 p -127.18 166.43 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.41 -3.04 90.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.5 16.21 60.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.14 -43.9 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.4 -25.07 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 30.0 m -58.4 -34.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.55 -35.13 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.538 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.2 t -61.19 -65.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.425 HG13 HD13 ' A' ' 556' ' ' LEU . 11.7 tt -55.16 -36.94 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.13 -21.08 75.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.0 tp -68.1 -58.55 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.2 mp -69.33 -53.95 17.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.0 -25.78 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.1 -48.26 20.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.419 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.39 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.55 78.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.45 -58.37 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.54 -58.91 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.3 tp -50.83 -37.95 45.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.97 40.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.43 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 48.7 mt -58.07 -38.17 75.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.2 t -79.9 -47.75 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.19 -17.74 58.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -64.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.91 22.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -25.13 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -38.15 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.06 22.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.387 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -48.83 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.5 m -152.52 78.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.8 t 51.53 78.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -119.36 -31.64 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 64.42 101.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.587 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -96.78 145.58 25.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.05 163.21 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.6 -14.52 55.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.573 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.54 17.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.587 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.8 mt-10 -127.74 -39.24 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.88 -24.37 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.14 -30.26 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.07 -38.42 72.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' ' 550' ' ' ALA . 95.9 t -56.33 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.49 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -55.9 -37.36 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -55.71 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.66 -20.88 76.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.8 tp -68.46 -58.33 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -69.19 -53.88 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.33 -25.82 67.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.78 -48.39 22.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.32 62.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.57 78.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.49 -58.31 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.53 -58.7 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.81 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.87 41.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.9 -37.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.61 -37.9 76.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.7 t -79.75 -46.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.62 -18.39 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.38 23.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -107.14 -26.22 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.63 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.19 22.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.8 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 539' ' ' VAL . 3.5 t -140.41 35.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.7 t 61.0 72.01 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.77 18.89 7.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 178.81 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.8 p -144.63 168.49 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -66.44 -15.9 64.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 25.15 14.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.69 -37.73 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.02 -24.48 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.39 -30.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.3 -33.73 69.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.618 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.7 t -61.59 -65.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 556' ' ' LEU . 11.9 tt -54.91 -38.47 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -53.09 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.75 73.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.55 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.6 tp -69.17 -58.09 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.55 HD12 ' HG ' ' A' ' 555' ' ' LEU . 9.7 mp -66.86 -53.17 35.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.85 -24.5 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -44.34 36.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.495 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.51 -48.08 80.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.47 -58.61 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.78 -58.92 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.5 tp -51.03 -37.42 45.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.96 -54.17 39.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' A' ' 569' ' ' ARG . 40.1 mm -65.22 -37.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.2 mt -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.4 t -79.76 -47.6 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.66 -18.01 61.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 565' ' ' ILE . 0.2 OUTLIER -55.32 -64.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -159.48 23.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -106.12 -30.27 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 156.62 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 168.04 22.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.4 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.4 m -150.36 79.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 6.8 p 51.88 30.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -95.61 177.57 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 173.04 107.43 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.593 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -95.81 145.64 25.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 36.7 p -148.25 163.23 37.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.68 -14.49 55.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.04 24.5 18.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.593 ' OE1' HD13 ' B' ' 543' ' ' LEU . 24.9 mt-10 -127.64 -39.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.97 -24.9 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.42 -30.4 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.34 -39.05 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.431 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.4 t -57.2 -65.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.4 tt -54.49 -38.8 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.0 t80 -50.81 -63.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.82 -18.86 70.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -55.91 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.88 -52.79 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.9 mp -61.3 -28.88 69.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.67 -48.31 23.06 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.06 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -58.54 8.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.4 tp -50.98 -61.06 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.0 tp -49.8 -41.84 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.57 -53.74 39.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.87 -39.84 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 43.1 mt -53.71 -34.59 59.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 563' ' ' LEU . 99.6 t -80.47 -43.54 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -69.47 -11.63 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.47 -63.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.48 51.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -25.89 10.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -40.45 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.679 0.752 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 166.96 25.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.617 ' O ' HG13 ' A' ' 539' ' ' VAL . 52.6 Cg_endo -69.91 -54.21 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -170.81 24.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.1 t 174.88 -79.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 53.25 -175.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -128.24 101.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.591 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.5 mm? -95.53 145.67 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 37.1 p -148.29 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.7 -14.48 55.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.03 24.56 17.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' A' ' 543' ' ' LEU . 25.3 mt-10 -127.64 -41.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.68 -24.41 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.1 m -58.86 -30.5 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.488 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.0 -38.62 72.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.408 HG22 ' HB1' ' B' ' 550' ' ' ALA . 97.6 t -58.73 -62.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 556' ' ' LEU . 11.0 tt -56.6 -35.54 45.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -56.83 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.87 -20.72 76.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 556' ' ' LEU . 16.0 tp -68.48 -62.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.3 mm? -66.81 -53.44 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.16 -29.27 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.09 -48.09 49.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.5 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.46 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.56 -58.03 7.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.4 tp -50.99 -59.21 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.7 tp -50.86 -37.48 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.84 -54.12 39.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.24 -37.33 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 111.16 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.03 -38.59 76.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 563' ' ' LEU . 97.6 t -79.75 -47.67 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.4 -17.47 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -158.23 22.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -25.1 10.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 156.64 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 168.06 22.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.218 . . . . 0.0 112.381 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.03 69.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 21.7 t 50.28 86.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -169.44 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 155.12 75.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.58 -79.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.373 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 29.9 p -125.09 166.04 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.19 90.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.41 16.27 60.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -114.01 -39.6 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.18 -27.28 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.51 -29.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.408 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -72.56 -33.47 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 550' ' ' ALA . 84.1 t -66.68 -65.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.4 tt -54.07 -38.16 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 49.2 t80 -55.86 -65.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.33 -20.19 67.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.7 tp -68.67 -58.5 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.41 -53.48 23.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.99 -25.55 67.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.83 -46.8 28.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.18 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.15 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.73 -58.42 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 43.0 tp -51.67 -58.77 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -50.89 -38.17 48.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.45 -54.3 38.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.82 -37.68 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.24 -37.39 74.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.8 t -79.62 -47.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.44 -20.15 62.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 46.8 t -156.64 21.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.76 13.33 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.648 0.737 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.06 32.27 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 539' ' ' VAL . 54.4 Cg_endo -69.7 -57.22 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -173.72 29.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 1.4 t -165.27 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -178.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 157.15 105.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.11 178.36 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.61 -167.56 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -73.86 -17.94 79.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -92.01 35.1 4.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -127.68 -33.07 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 548' ' ' ILE . 3.9 mp -66.0 -25.22 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 15.0 m -57.82 -29.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.598 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.77 -30.83 65.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' B' ' 550' ' ' ALA . 96.2 t -63.3 -65.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.411 HG13 HD13 ' A' ' 556' ' ' LEU . 14.9 tt -55.98 -37.92 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.469 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 40.7 t80 -52.87 -63.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.2 -19.67 70.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 556' ' ' LEU . 14.8 tp -69.29 -56.04 8.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.1 mp -70.63 -53.83 14.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.8 mp -61.99 -26.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.35 -47.65 21.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.34 62.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.14 80.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.63 -58.37 5.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 42.4 tp -51.54 -58.87 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.2 tp -51.03 -37.92 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.69 -53.98 40.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.561 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.93 -37.32 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.73 -37.88 77.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 98.8 t -79.7 -46.58 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.22 63.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.4 m -157.99 22.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.12 -26.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 156.82 19.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 167.62 24.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 14.5 m -148.36 -169.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.75 120.16 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.76 -29.0 4.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 90.77 -41.98 2.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.11 143.83 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 37.8 p -146.95 163.65 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.76 -14.6 55.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.0 24.55 17.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -125.05 -37.61 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.03 -25.18 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -59.76 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -70.66 -34.5 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.598 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.4 t -61.32 -65.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 14.1 tt -55.1 -38.1 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.6 t80 -52.84 -63.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.51 69.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' B' ' 556' ' ' LEU . 15.1 tp -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.58 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.28 -53.99 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.68 -26.89 68.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.7 28.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.87 -51.2 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.57 -58.25 6.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.6 tp -51.68 -58.85 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.1 tp -51.11 -37.5 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.95 -53.96 40.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.87 -37.29 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.79 -37.97 77.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.5 t -79.77 -46.65 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.44 -18.36 63.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.03 21.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.88 11.84 20.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -26.29 66.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.7 0.762 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.16 22.41 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -48.65 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 539' ' ' VAL . 3.4 t -139.95 35.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 6.5 t 61.17 73.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -108.91 -28.13 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.71 25.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.96 179.23 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 43.2 p -142.61 167.24 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -65.28 -15.9 61.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.02 25.26 14.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.49 -38.22 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.41 -24.51 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.35 -30.4 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -72.96 -36.71 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.54 HG22 ' HB1' ' B' ' 550' ' ' ALA . 99.1 t -61.4 -59.1 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.477 HG13 HD13 ' A' ' 556' ' ' LEU . 11.4 tt -59.6 -35.52 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.0 -61.98 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.4 -21.58 78.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 556' ' ' LEU . 16.1 tp -68.3 -58.52 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 555' ' ' LEU . 10.4 mp -69.37 -54.03 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.71 -26.3 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.13 -47.02 25.45 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.527 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.53 -51.61 58.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.94 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.64 -58.41 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 49.5 tp -51.76 -58.48 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.9 tp -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.69 43.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 40.2 mm -65.02 -37.28 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.73 -37.93 77.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.5 t -79.62 -46.42 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -64.07 -18.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -63.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.5 m -158.44 23.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -107.61 -24.42 11.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -26.18 60.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.72 20.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -163.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.45 ' O ' HG12 ' B' ' 539' ' ' VAL . 5.3 t -121.34 3.11 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . 0.72 ' C ' HD23 ' B' ' 543' ' ' LEU . 1.8 m -123.74 20.46 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . 0.622 ' N ' HD23 ' B' ' 543' ' ' LEU . 0.0 OUTLIER -87.69 127.03 35.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.41 23.02 57.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.72 HD13 ' OE1' ' B' ' 547' ' ' GLU . 4.5 mm? -76.2 146.64 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.9 p -148.63 163.15 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.56 -14.73 55.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.99 24.93 15.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.72 ' OE1' HD13 ' B' ' 543' ' ' LEU . 22.2 mt-10 -128.72 -42.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.416 ' H ' HD12 ' B' ' 548' ' ' ILE . 3.2 mp -60.25 -22.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 16.3 m -60.45 -30.06 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.54 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.458 HG22 ' HB1' ' A' ' 550' ' ' ALA . 98.8 t -59.33 -65.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.3 tt -54.7 -40.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.498 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 42.0 t80 -55.63 -62.81 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.52 -19.48 68.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 19.1 tp -70.99 -57.45 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.8 -54.12 21.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.498 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.27 -29.01 70.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.23 -51.74 36.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.68 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.11 -55.32 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.06 -58.39 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.29 -60.89 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.96 -33.26 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -64.02 -55.38 24.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . 0.427 HG22 ' HD3' ' B' ' 569' ' ' ARG . 37.9 mm -67.41 -37.87 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.23 -38.84 77.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.644 HG13 ' HD3' ' B' ' 571' ' ' ARG . 12.1 t -80.29 -50.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -55.68 -20.62 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.427 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.1 OUTLIER -60.6 -68.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.8 t 179.75 -28.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . 0.644 ' HD3' HG13 ' B' ' 567' ' ' VAL . 19.1 mtm-85 60.0 18.52 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -42.98 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.677 0.751 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 167.56 24.19 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.604 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.82 -53.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.617 2.212 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.0 OUTLIER -171.02 25.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.26 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 48.88 -168.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.0 -172.97 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 36.5 p -148.42 162.46 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.42 -13.66 55.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.94 23.92 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.547 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -127.14 -39.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.19 -24.77 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.32 -30.24 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.61 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -71.03 -38.48 72.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.539 HG22 ' HB1' ' B' ' 550' ' ' ALA . 98.3 t -57.32 -65.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.9 tt -54.92 -38.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.169 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 557' ' ' LEU . 43.4 t80 -50.87 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.94 -19.17 71.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -55.46 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.08 -52.97 12.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 553' ' ' PHE . 10.9 mp -61.23 -27.84 68.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -74.17 -47.49 17.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -62.41 -52.33 64.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.6 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.8 -59.11 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 46.0 tp -51.71 -60.61 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 567' ' ' VAL . 12.8 tp -50.69 -36.56 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.01 -54.01 40.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.98 -37.17 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.13 -37.3 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 563' ' ' LEU . 94.7 t -79.65 -46.45 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.38 -20.36 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.2 m -158.26 22.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 12.51 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.14 137.53 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 168.21 22.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.707 2.272 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.79 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.749 2.299 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.8 -168.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 46.2 t -75.65 78.98 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -84.32 -74.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 107.78 18.22 10.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -178.02 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 38.0 p -149.02 163.21 38.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.54 -14.58 55.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -91.18 24.75 17.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -128.84 -42.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.65 -23.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 17.1 m -59.35 -30.11 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.539 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.33 -36.46 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.61 HG22 ' HB1' ' A' ' 550' ' ' ALA . 99.7 t -57.51 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.419 HG13 HD13 ' B' ' 556' ' ' LEU . 14.6 tt -56.21 -38.42 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 44.1 t80 -52.81 -62.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.85 -20.32 70.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.7 tp -69.32 -57.07 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.0 mp -68.56 -53.6 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -62.62 -25.36 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.42 -44.82 32.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.1 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.11 61.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.39 -59.4 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.71 -60.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.417 HD13 HD13 ' A' ' 563' ' ' LEU . 10.9 tp -50.94 -32.57 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.05 12.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . 0.506 HG22 ' HD3' ' B' ' 569' ' ' ARG . 37.8 mm -64.83 -39.6 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.55 -40.24 78.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.626 HG13 ' HD3' ' B' ' 571' ' ' ARG . 9.6 t -80.32 -47.9 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -57.9 -19.32 28.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.506 ' HD3' HG22 ' B' ' 565' ' ' ILE . 0.0 OUTLIER -60.09 -67.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.25 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . 0.626 ' HD3' HG13 ' B' ' 567' ' ' VAL . 16.9 mtm-85 58.07 20.45 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 155.08 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.738 0.78 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.558 ' O ' HG13 ' A' ' 539' ' ' VAL . 53.9 Cg_endo -69.78 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 538' ' ' PRO . 0.1 OUTLIER -161.89 24.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 4.0 m -168.93 38.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -121.84 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -109.97 20.55 26.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.493 HD13 ' OE1' ' A' ' 547' ' ' GLU . 4.2 mm? -90.35 144.96 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 35.8 p -148.21 163.32 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -63.78 -14.56 55.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.98 24.56 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.493 ' OE1' HD13 ' A' ' 543' ' ' LEU . 28.3 mt-10 -126.99 -39.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.69 -24.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.81 -30.38 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.625 ' HB1' HG22 ' B' ' 551' ' ' VAL . . . -70.84 -37.91 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.489 HG22 ' HB1' ' B' ' 550' ' ' ALA . 87.2 t -59.38 -65.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 14.3 tt -53.56 -38.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.463 ' CE2' HD22 ' A' ' 557' ' ' LEU . 46.8 t80 -53.87 -64.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.03 -18.78 67.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 556' ' ' LEU . 14.8 tp -69.31 -58.14 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 555' ' ' LEU . 4.5 mm? -69.6 -53.16 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 553' ' ' PHE . 10.8 mp -61.9 -27.02 68.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.004 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -71.87 -48.04 29.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.89 60.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.32 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.8 tp -65.56 -58.63 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 29.4 tp -51.55 -59.07 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 567' ' ' VAL . 13.1 tp -50.42 -38.63 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.0 32.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.423 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.8 mm -64.6 -38.46 82.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 49.6 mt -58.19 -35.73 72.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 563' ' ' LEU . 85.4 t -80.1 -44.5 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -65.2 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -80.14 -76.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -47.47 78.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 54.32 24.95 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 155.21 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.689 0.757 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.27 22.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -48.75 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.611 2.207 . . . . 0.0 112.279 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.7 -168.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 5.2 t -68.87 86.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.83 178.89 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -148.84 112.29 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.471 HD22 ' H ' ' B' ' 543' ' ' LEU . 1.6 mm? -82.85 -176.19 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 34.4 p -147.75 162.28 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -64.09 -13.7 54.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -90.86 23.9 20.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -125.68 -37.78 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.34 -26.69 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.7 -30.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 551' ' ' VAL . . . -71.16 -33.46 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.625 HG22 ' HB1' ' A' ' 550' ' ' ALA . 96.2 t -62.29 -65.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 10.5 tt -55.18 -37.76 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' B' ' 557' ' ' LEU . 43.5 t80 -52.51 -63.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.72 -19.95 69.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 556' ' ' LEU . 14.8 tp -69.22 -56.39 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 555' ' ' LEU . 10.1 mp -70.17 -53.99 14.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' B' ' 553' ' ' PHE . 10.8 mp -61.87 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.03 21.85 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.35 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.51 78.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.51 -58.29 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 47.1 tp -51.56 -58.79 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 567' ' ' VAL . 13.2 tp -51.12 -37.52 46.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.08 39.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.86 -37.3 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 111.079 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 49.9 mt -58.78 -37.92 77.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 563' ' ' LEU . 98.0 t -79.63 -46.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.85 -18.48 64.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -63.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.6 m -158.66 23.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -108.11 0.51 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -27.49 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.94 . . . . . . . . 0 0 . 1 stop_ save_